USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=22 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= 1.27 K(o=2.3,f=-7.2!) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 ASN : amide:sc= -1.5 X(o=0.096,f=0.063) USER MOD Set 2.3: A 77 CYS SG : rot 21:sc= 1.6 USER MOD Single : A 33 MET CE :methyl 161:sc= -0.36 (180deg=-1.04) USER MOD Single : A 42 ASN : amide:sc= 0.0023 X(o=0.0023,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.18 K(o=1.2,f=-0.56) USER MOD Single : A 50 ASN : amide:sc= -0.0062 K(o=-0.0062,f=-0.93) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.682 (180deg=-1.08) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= -0.0747 USER MOD Single : A 65 TYR OH : rot 56:sc= 1.26 USER MOD Single : A 70 THR OG1 : rot -78:sc= 0.832 USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 0.766 (180deg=0.251) USER MOD Single : A 74 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.1) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= -0.679 (180deg=-0.871) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.11) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 101 THR OG1 : rot 60:sc= -0.475 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 50:sc= -0.164 USER MOD Single : A 108 TYR OH : rot 46:sc= 1.23 USER MOD Single : A 113 THR OG1 : rot -36:sc= 0.142 USER MOD Single : A 115 SER OG : rot 120:sc= -0.488 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.389 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.597 4.739 -4.915 1.00 0.00 N ATOM 439 CA ASP A 32 10.958 4.943 -3.619 1.00 0.00 C ATOM 440 C ASP A 32 9.547 4.369 -3.618 1.00 0.00 C ATOM 441 O ASP A 32 8.680 4.829 -4.366 1.00 0.00 O ATOM 442 CB ASP A 32 10.902 6.435 -3.277 1.00 0.00 C ATOM 443 CG ASP A 32 12.258 7.112 -3.326 1.00 0.00 C ATOM 444 OD1 ASP A 32 12.805 7.277 -4.436 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.782 7.500 -2.259 1.00 0.00 O ATOM 0 HA ASP A 32 11.553 4.425 -2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.228 6.935 -3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.478 6.557 -2.280 1.00 0.00 H new ATOM 450 N MET A 33 9.320 3.361 -2.787 1.00 0.00 N ATOM 451 CA MET A 33 8.007 2.742 -2.686 1.00 0.00 C ATOM 452 C MET A 33 7.000 3.736 -2.120 1.00 0.00 C ATOM 453 O MET A 33 5.820 3.714 -2.464 1.00 0.00 O ATOM 454 CB MET A 33 8.073 1.503 -1.795 1.00 0.00 C ATOM 455 CG MET A 33 7.024 0.462 -2.133 1.00 0.00 C ATOM 456 SD MET A 33 7.236 -0.211 -3.793 1.00 0.00 S ATOM 457 CE MET A 33 8.921 -0.816 -3.697 1.00 0.00 C ATOM 0 H MET A 33 10.027 2.955 -2.174 1.00 0.00 H new ATOM 0 HA MET A 33 7.686 2.442 -3.683 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.062 1.053 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.952 1.806 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.073 -0.349 -1.406 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.033 0.907 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 33 9.093 -1.542 -4.492 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.614 0.018 -3.811 1.00 0.00 H new ATOM 0 HE3 MET A 33 9.082 -1.292 -2.730 1.00 0.00 H new ATOM 467 N ARG A 34 7.482 4.619 -1.253 1.00 0.00 N ATOM 468 CA ARG A 34 6.641 5.649 -0.659 1.00 0.00 C ATOM 469 C ARG A 34 6.306 6.713 -1.702 1.00 0.00 C ATOM 470 O ARG A 34 5.224 7.299 -1.682 1.00 0.00 O ATOM 471 CB ARG A 34 7.351 6.254 0.561 1.00 0.00 C ATOM 472 CG ARG A 34 6.648 7.447 1.200 1.00 0.00 C ATOM 473 CD ARG A 34 7.092 8.759 0.572 1.00 0.00 C ATOM 474 NE ARG A 34 6.647 9.912 1.342 1.00 0.00 N ATOM 475 CZ ARG A 34 7.474 10.752 1.957 1.00 0.00 C ATOM 476 NH1 ARG A 34 8.791 10.619 1.817 1.00 0.00 N ATOM 477 NH2 ARG A 34 6.979 11.736 2.689 1.00 0.00 N ATOM 0 H ARG A 34 8.454 4.641 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 34 5.703 5.210 -0.320 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.468 5.476 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.353 6.561 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.569 7.337 1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.859 7.465 2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.179 8.773 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.698 8.827 -0.442 1.00 0.00 H new ATOM 0 HE ARG A 34 5.644 10.085 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.169 9.871 1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.422 11.266 2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.969 11.847 2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.607 12.384 3.164 1.00 0.00 H new ATOM 491 N LEU A 35 7.243 6.942 -2.615 1.00 0.00 N ATOM 492 CA LEU A 35 7.042 7.871 -3.725 1.00 0.00 C ATOM 493 C LEU A 35 5.820 7.473 -4.544 1.00 0.00 C ATOM 494 O LEU A 35 4.880 8.258 -4.715 1.00 0.00 O ATOM 495 CB LEU A 35 8.275 7.871 -4.626 1.00 0.00 C ATOM 496 CG LEU A 35 8.126 8.646 -5.926 1.00 0.00 C ATOM 497 CD1 LEU A 35 8.221 10.137 -5.665 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.175 8.200 -6.937 1.00 0.00 C ATOM 0 H LEU A 35 8.159 6.493 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 35 6.883 8.869 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.114 8.287 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.531 6.839 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 35 7.143 8.437 -6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.113 10.679 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.429 10.438 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.190 10.368 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.053 8.765 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.171 8.379 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.053 7.137 -7.143 1.00 0.00 H new ATOM 510 N GLU A 36 5.847 6.243 -5.037 1.00 0.00 N ATOM 511 CA GLU A 36 4.754 5.706 -5.836 1.00 0.00 C ATOM 512 C GLU A 36 3.483 5.628 -5.012 1.00 0.00 C ATOM 513 O GLU A 36 2.390 5.840 -5.521 1.00 0.00 O ATOM 514 CB GLU A 36 5.118 4.318 -6.358 1.00 0.00 C ATOM 515 CG GLU A 36 6.392 4.303 -7.179 1.00 0.00 C ATOM 516 CD GLU A 36 6.309 5.202 -8.392 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.602 6.405 -8.265 1.00 0.00 O ATOM 518 OE2 GLU A 36 5.976 4.701 -9.483 1.00 0.00 O ATOM 0 H GLU A 36 6.621 5.593 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 36 4.584 6.373 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.230 3.637 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.297 3.939 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.227 4.618 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.601 3.283 -7.500 1.00 0.00 H new ATOM 525 N ALA A 37 3.644 5.348 -3.728 1.00 0.00 N ATOM 526 CA ALA A 37 2.509 5.224 -2.823 1.00 0.00 C ATOM 527 C ALA A 37 1.742 6.534 -2.750 1.00 0.00 C ATOM 528 O ALA A 37 0.530 6.569 -2.955 1.00 0.00 O ATOM 529 CB ALA A 37 2.972 4.801 -1.436 1.00 0.00 C ATOM 0 H ALA A 37 4.552 5.202 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 37 1.843 4.454 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.109 4.714 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.479 3.838 -1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.660 5.548 -1.039 1.00 0.00 H new ATOM 535 N GLU A 38 2.470 7.611 -2.485 1.00 0.00 N ATOM 536 CA GLU A 38 1.885 8.939 -2.384 1.00 0.00 C ATOM 537 C GLU A 38 1.223 9.329 -3.711 1.00 0.00 C ATOM 538 O GLU A 38 0.126 9.891 -3.730 1.00 0.00 O ATOM 539 CB GLU A 38 2.984 9.938 -1.978 1.00 0.00 C ATOM 540 CG GLU A 38 2.484 11.324 -1.589 1.00 0.00 C ATOM 541 CD GLU A 38 2.210 12.208 -2.784 1.00 0.00 C ATOM 542 OE1 GLU A 38 3.121 12.382 -3.620 1.00 0.00 O ATOM 543 OE2 GLU A 38 1.084 12.733 -2.897 1.00 0.00 O ATOM 0 H GLU A 38 3.479 7.588 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 38 1.107 8.950 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.541 9.521 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.685 10.041 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.572 11.224 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.224 11.805 -0.950 1.00 0.00 H new ATOM 550 N ALA A 39 1.883 8.991 -4.818 1.00 0.00 N ATOM 551 CA ALA A 39 1.369 9.302 -6.151 1.00 0.00 C ATOM 552 C ALA A 39 0.070 8.549 -6.434 1.00 0.00 C ATOM 553 O ALA A 39 -0.916 9.140 -6.883 1.00 0.00 O ATOM 554 CB ALA A 39 2.413 8.972 -7.207 1.00 0.00 C ATOM 0 H ALA A 39 2.777 8.500 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 39 1.152 10.369 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.018 9.208 -8.195 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.313 9.560 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.657 7.911 -7.158 1.00 0.00 H new ATOM 560 N VAL A 40 0.077 7.246 -6.160 1.00 0.00 N ATOM 561 CA VAL A 40 -1.094 6.395 -6.367 1.00 0.00 C ATOM 562 C VAL A 40 -2.279 6.880 -5.538 1.00 0.00 C ATOM 563 O VAL A 40 -3.411 6.916 -6.025 1.00 0.00 O ATOM 564 CB VAL A 40 -0.785 4.915 -6.025 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.058 4.082 -5.967 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.178 4.327 -7.044 1.00 0.00 C ATOM 0 H VAL A 40 0.889 6.752 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.354 6.459 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.320 4.891 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.806 3.049 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.721 4.483 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.560 4.116 -6.934 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.386 3.287 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.268 4.376 -8.037 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.108 4.895 -7.036 1.00 0.00 H new ATOM 576 N VAL A 41 -2.007 7.271 -4.296 1.00 0.00 N ATOM 577 CA VAL A 41 -3.041 7.793 -3.406 1.00 0.00 C ATOM 578 C VAL A 41 -3.797 8.952 -4.053 1.00 0.00 C ATOM 579 O VAL A 41 -5.005 9.073 -3.904 1.00 0.00 O ATOM 580 CB VAL A 41 -2.432 8.254 -2.058 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.425 9.079 -1.255 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.968 7.057 -1.243 1.00 0.00 C ATOM 0 H VAL A 41 -1.076 7.236 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.744 6.982 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.571 8.884 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.967 9.387 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.710 9.963 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.312 8.480 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.543 7.401 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.816 6.403 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.211 6.507 -1.802 1.00 0.00 H new ATOM 592 N ASN A 42 -3.083 9.783 -4.794 1.00 0.00 N ATOM 593 CA ASN A 42 -3.686 10.945 -5.440 1.00 0.00 C ATOM 594 C ASN A 42 -4.405 10.558 -6.732 1.00 0.00 C ATOM 595 O ASN A 42 -5.401 11.179 -7.112 1.00 0.00 O ATOM 596 CB ASN A 42 -2.605 12.012 -5.702 1.00 0.00 C ATOM 597 CG ASN A 42 -2.690 12.641 -7.084 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.404 13.622 -7.293 1.00 0.00 O ATOM 599 ND2 ASN A 42 -1.947 12.084 -8.032 1.00 0.00 N ATOM 0 H ASN A 42 -2.083 9.677 -4.965 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.438 11.362 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.691 12.796 -4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.622 11.558 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.954 12.468 -8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.369 11.272 -7.816 1.00 0.00 H new ATOM 606 N ASP A 43 -3.926 9.510 -7.384 1.00 0.00 N ATOM 607 CA ASP A 43 -4.433 9.141 -8.701 1.00 0.00 C ATOM 608 C ASP A 43 -5.746 8.367 -8.612 1.00 0.00 C ATOM 609 O ASP A 43 -6.716 8.699 -9.296 1.00 0.00 O ATOM 610 CB ASP A 43 -3.395 8.315 -9.464 1.00 0.00 C ATOM 611 CG ASP A 43 -3.857 7.947 -10.862 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.911 8.845 -11.731 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.157 6.759 -11.104 1.00 0.00 O ATOM 0 H ASP A 43 -3.190 8.901 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.627 10.068 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.464 8.878 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.178 7.405 -8.905 1.00 0.00 H new ATOM 618 N VAL A 44 -5.789 7.351 -7.761 1.00 0.00 N ATOM 619 CA VAL A 44 -6.944 6.456 -7.722 1.00 0.00 C ATOM 620 C VAL A 44 -7.899 6.779 -6.574 1.00 0.00 C ATOM 621 O VAL A 44 -8.881 6.065 -6.362 1.00 0.00 O ATOM 622 CB VAL A 44 -6.515 4.976 -7.631 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.692 4.580 -8.847 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.739 4.711 -6.349 1.00 0.00 C ATOM 0 H VAL A 44 -5.050 7.125 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.474 6.618 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.417 4.364 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.400 3.533 -8.763 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.287 4.720 -9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.799 5.203 -8.901 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.449 3.661 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.846 5.335 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.366 4.946 -5.489 1.00 0.00 H new ATOM 634 N LEU A 45 -7.634 7.868 -5.856 1.00 0.00 N ATOM 635 CA LEU A 45 -8.484 8.266 -4.733 1.00 0.00 C ATOM 636 C LEU A 45 -9.898 8.569 -5.222 1.00 0.00 C ATOM 637 O LEU A 45 -10.868 8.396 -4.490 1.00 0.00 O ATOM 638 CB LEU A 45 -7.883 9.488 -4.023 1.00 0.00 C ATOM 639 CG LEU A 45 -8.446 9.811 -2.630 1.00 0.00 C ATOM 640 CD1 LEU A 45 -7.412 10.562 -1.808 1.00 0.00 C ATOM 641 CD2 LEU A 45 -9.717 10.644 -2.732 1.00 0.00 C ATOM 0 H LEU A 45 -6.843 8.488 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.536 7.443 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.808 9.335 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.028 10.360 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.687 8.868 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.822 10.785 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.518 9.947 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.152 11.493 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.093 10.858 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.498 11.580 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.471 10.091 -3.293 1.00 0.00 H new ATOM 653 N PHE A 46 -10.006 8.987 -6.480 1.00 0.00 N ATOM 654 CA PHE A 46 -11.292 9.338 -7.079 1.00 0.00 C ATOM 655 C PHE A 46 -12.225 8.121 -7.150 1.00 0.00 C ATOM 656 O PHE A 46 -13.447 8.264 -7.257 1.00 0.00 O ATOM 657 CB PHE A 46 -11.061 9.918 -8.478 1.00 0.00 C ATOM 658 CG PHE A 46 -12.307 10.416 -9.157 1.00 0.00 C ATOM 659 CD1 PHE A 46 -12.913 11.593 -8.745 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.868 9.710 -10.208 1.00 0.00 C ATOM 661 CE1 PHE A 46 -14.056 12.054 -9.368 1.00 0.00 C ATOM 662 CE2 PHE A 46 -14.011 10.167 -10.836 1.00 0.00 C ATOM 663 CZ PHE A 46 -14.605 11.341 -10.415 1.00 0.00 C ATOM 0 H PHE A 46 -9.211 9.092 -7.110 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.776 10.086 -6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.349 10.740 -8.404 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.602 9.153 -9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.486 12.156 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.407 8.792 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.520 12.971 -9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.439 9.607 -11.654 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.498 11.701 -10.904 1.00 0.00 H new ATOM 673 N ALA A 47 -11.649 6.927 -7.070 1.00 0.00 N ATOM 674 CA ALA A 47 -12.423 5.698 -7.168 1.00 0.00 C ATOM 675 C ALA A 47 -12.944 5.263 -5.800 1.00 0.00 C ATOM 676 O ALA A 47 -13.939 4.542 -5.706 1.00 0.00 O ATOM 677 CB ALA A 47 -11.581 4.595 -7.788 1.00 0.00 C ATOM 0 H ALA A 47 -10.648 6.785 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.283 5.890 -7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.171 3.681 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.264 4.897 -8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.703 4.415 -7.167 1.00 0.00 H new ATOM 683 N VAL A 48 -12.285 5.715 -4.740 1.00 0.00 N ATOM 684 CA VAL A 48 -12.675 5.348 -3.385 1.00 0.00 C ATOM 685 C VAL A 48 -12.979 6.592 -2.556 1.00 0.00 C ATOM 686 O VAL A 48 -13.116 7.685 -3.100 1.00 0.00 O ATOM 687 CB VAL A 48 -11.595 4.500 -2.678 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.406 3.173 -3.397 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.280 5.253 -2.589 1.00 0.00 C ATOM 0 H VAL A 48 -11.478 6.336 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.576 4.740 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.934 4.299 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.642 2.588 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.346 2.622 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.095 3.357 -4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.538 4.632 -2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.931 5.495 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.425 6.173 -2.024 1.00 0.00 H new ATOM 699 N ASN A 49 -13.111 6.422 -1.248 1.00 0.00 N ATOM 700 CA ASN A 49 -13.480 7.529 -0.374 1.00 0.00 C ATOM 701 C ASN A 49 -12.242 8.200 0.209 1.00 0.00 C ATOM 702 O ASN A 49 -12.105 9.424 0.174 1.00 0.00 O ATOM 703 CB ASN A 49 -14.359 7.033 0.775 1.00 0.00 C ATOM 704 CG ASN A 49 -14.911 8.173 1.610 1.00 0.00 C ATOM 705 OD1 ASN A 49 -15.291 9.217 1.079 1.00 0.00 O ATOM 706 ND2 ASN A 49 -14.936 7.998 2.919 1.00 0.00 N ATOM 0 H ASN A 49 -12.969 5.533 -0.769 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.032 8.252 -0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.185 6.448 0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.778 6.366 1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.279 8.742 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.613 7.119 3.322 1.00 0.00 H new ATOM 713 N ASN A 50 -11.344 7.388 0.742 1.00 0.00 N ATOM 714 CA ASN A 50 -10.184 7.899 1.458 1.00 0.00 C ATOM 715 C ASN A 50 -8.975 7.005 1.214 1.00 0.00 C ATOM 716 O ASN A 50 -9.118 5.797 1.068 1.00 0.00 O ATOM 717 CB ASN A 50 -10.498 7.958 2.957 1.00 0.00 C ATOM 718 CG ASN A 50 -9.367 8.540 3.782 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.611 9.390 3.311 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.248 8.091 5.021 1.00 0.00 N ATOM 0 H ASN A 50 -11.395 6.370 0.693 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.952 8.900 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.396 8.557 3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.720 6.953 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.508 8.450 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.896 7.386 5.372 1.00 0.00 H new ATOM 727 N MET A 51 -7.793 7.602 1.145 1.00 0.00 N ATOM 728 CA MET A 51 -6.553 6.851 0.993 1.00 0.00 C ATOM 729 C MET A 51 -5.449 7.510 1.807 1.00 0.00 C ATOM 730 O MET A 51 -5.072 8.651 1.545 1.00 0.00 O ATOM 731 CB MET A 51 -6.128 6.764 -0.478 1.00 0.00 C ATOM 732 CG MET A 51 -7.103 6.011 -1.364 1.00 0.00 C ATOM 733 SD MET A 51 -6.431 5.655 -2.999 1.00 0.00 S ATOM 734 CE MET A 51 -5.078 4.564 -2.571 1.00 0.00 C ATOM 0 H MET A 51 -7.666 8.613 1.192 1.00 0.00 H new ATOM 0 HA MET A 51 -6.726 5.838 1.357 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.005 7.774 -0.869 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.154 6.279 -0.535 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.380 5.075 -0.878 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.016 6.597 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.765 4.008 -3.455 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.240 5.153 -2.198 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.403 3.866 -1.800 1.00 0.00 H new ATOM 744 N PHE A 52 -4.944 6.795 2.797 1.00 0.00 N ATOM 745 CA PHE A 52 -3.892 7.316 3.657 1.00 0.00 C ATOM 746 C PHE A 52 -2.953 6.186 4.058 1.00 0.00 C ATOM 747 O PHE A 52 -3.404 5.101 4.414 1.00 0.00 O ATOM 748 CB PHE A 52 -4.509 7.974 4.899 1.00 0.00 C ATOM 749 CG PHE A 52 -3.531 8.749 5.738 1.00 0.00 C ATOM 750 CD1 PHE A 52 -3.047 9.973 5.303 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.103 8.258 6.960 1.00 0.00 C ATOM 752 CE1 PHE A 52 -2.155 10.691 6.073 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.209 8.972 7.735 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.733 10.190 7.290 1.00 0.00 C ATOM 0 H PHE A 52 -5.246 5.848 3.027 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.321 8.070 3.116 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.309 8.644 4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.967 7.201 5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.371 10.369 4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.472 7.306 7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.787 11.645 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.883 8.579 8.687 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.032 10.750 7.892 1.00 0.00 H new ATOM 764 N VAL A 53 -1.654 6.430 3.975 1.00 0.00 N ATOM 765 CA VAL A 53 -0.672 5.406 4.301 1.00 0.00 C ATOM 766 C VAL A 53 -0.596 5.179 5.809 1.00 0.00 C ATOM 767 O VAL A 53 -0.908 6.071 6.598 1.00 0.00 O ATOM 768 CB VAL A 53 0.727 5.751 3.745 1.00 0.00 C ATOM 769 CG1 VAL A 53 0.720 5.696 2.226 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.184 7.123 4.217 1.00 0.00 C ATOM 0 H VAL A 53 -1.256 7.324 3.686 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.005 4.485 3.823 1.00 0.00 H new ATOM 0 HB VAL A 53 1.431 5.010 4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.713 5.941 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.445 4.693 1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.003 6.414 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.172 7.338 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.478 7.879 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.230 7.136 5.306 1.00 0.00 H new ATOM 780 N SER A 54 -0.194 3.978 6.198 1.00 0.00 N ATOM 781 CA SER A 54 -0.159 3.590 7.601 1.00 0.00 C ATOM 782 C SER A 54 0.977 4.289 8.340 1.00 0.00 C ATOM 783 O SER A 54 1.865 4.884 7.723 1.00 0.00 O ATOM 784 CB SER A 54 0.001 2.074 7.710 1.00 0.00 C ATOM 785 OG SER A 54 -0.964 1.410 6.917 1.00 0.00 O ATOM 0 H SER A 54 0.115 3.249 5.555 1.00 0.00 H new ATOM 0 HA SER A 54 -1.098 3.894 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.002 1.785 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.102 1.766 8.751 1.00 0.00 H new ATOM 0 HG SER A 54 -0.844 0.441 6.999 1.00 0.00 H new ATOM 791 N LYS A 55 0.948 4.213 9.662 1.00 0.00 N ATOM 792 CA LYS A 55 1.943 4.881 10.481 1.00 0.00 C ATOM 793 C LYS A 55 2.525 3.923 11.521 1.00 0.00 C ATOM 794 O LYS A 55 3.657 4.097 11.968 1.00 0.00 O ATOM 795 CB LYS A 55 1.311 6.116 11.154 1.00 0.00 C ATOM 796 CG LYS A 55 2.276 6.974 11.971 1.00 0.00 C ATOM 797 CD LYS A 55 2.478 6.427 13.379 1.00 0.00 C ATOM 798 CE LYS A 55 3.556 7.189 14.127 1.00 0.00 C ATOM 799 NZ LYS A 55 3.870 6.563 15.437 1.00 0.00 N ATOM 0 H LYS A 55 0.245 3.695 10.189 1.00 0.00 H new ATOM 0 HA LYS A 55 2.765 5.210 9.845 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.859 6.739 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.505 5.782 11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.238 7.023 11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.894 7.993 12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.540 6.487 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.749 5.373 13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.460 7.230 13.519 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.231 8.217 14.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.611 7.114 15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.014 6.546 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.205 5.590 15.285 1.00 0.00 H new ATOM 813 N SER A 56 1.785 2.874 11.858 1.00 0.00 N ATOM 814 CA SER A 56 2.145 2.033 12.990 1.00 0.00 C ATOM 815 C SER A 56 3.033 0.885 12.537 1.00 0.00 C ATOM 816 O SER A 56 3.214 -0.104 13.246 1.00 0.00 O ATOM 817 CB SER A 56 0.882 1.505 13.668 1.00 0.00 C ATOM 818 OG SER A 56 0.060 2.578 14.103 1.00 0.00 O ATOM 0 H SER A 56 0.938 2.588 11.367 1.00 0.00 H new ATOM 0 HA SER A 56 2.704 2.630 13.711 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.327 0.874 12.974 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.154 0.881 14.519 1.00 0.00 H new ATOM 0 HG SER A 56 -0.745 2.220 14.533 1.00 0.00 H new ATOM 824 N LEU A 57 3.581 1.025 11.342 1.00 0.00 N ATOM 825 CA LEU A 57 4.476 0.025 10.796 1.00 0.00 C ATOM 826 C LEU A 57 5.773 0.678 10.337 1.00 0.00 C ATOM 827 O LEU A 57 6.622 1.022 11.160 1.00 0.00 O ATOM 828 CB LEU A 57 3.814 -0.730 9.639 1.00 0.00 C ATOM 829 CG LEU A 57 2.466 -1.380 9.960 1.00 0.00 C ATOM 830 CD1 LEU A 57 1.326 -0.387 9.830 1.00 0.00 C ATOM 831 CD2 LEU A 57 2.227 -2.555 9.053 1.00 0.00 C ATOM 0 H LEU A 57 3.420 1.826 10.731 1.00 0.00 H new ATOM 0 HA LEU A 57 4.705 -0.697 11.580 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.675 -0.037 8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.499 -1.506 9.296 1.00 0.00 H new ATOM 0 HG LEU A 57 2.500 -1.722 10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.384 -0.882 10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.484 0.440 10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.291 -0.005 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.265 -3.009 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.223 -2.219 8.016 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.020 -3.290 9.193 1.00 0.00 H new ATOM 843 N ARG A 58 5.915 0.867 9.028 1.00 0.00 N ATOM 844 CA ARG A 58 7.084 1.533 8.471 1.00 0.00 C ATOM 845 C ARG A 58 6.921 1.721 6.971 1.00 0.00 C ATOM 846 O ARG A 58 6.233 0.944 6.309 1.00 0.00 O ATOM 847 CB ARG A 58 8.364 0.735 8.759 1.00 0.00 C ATOM 848 CG ARG A 58 8.486 -0.565 7.974 1.00 0.00 C ATOM 849 CD ARG A 58 9.704 -1.365 8.414 1.00 0.00 C ATOM 850 NE ARG A 58 9.932 -2.536 7.570 1.00 0.00 N ATOM 851 CZ ARG A 58 9.583 -3.778 7.901 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.985 -4.020 9.064 1.00 0.00 N ATOM 853 NH2 ARG A 58 9.843 -4.774 7.068 1.00 0.00 N ATOM 0 H ARG A 58 5.232 0.567 8.333 1.00 0.00 H new ATOM 0 HA ARG A 58 7.171 2.509 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.227 1.362 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.403 0.507 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.586 -1.163 8.114 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.559 -0.344 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.585 -0.724 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.572 -1.685 9.448 1.00 0.00 H new ATOM 0 HE ARG A 58 10.388 -2.393 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.792 -3.253 9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.720 -4.973 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.308 -4.588 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.579 -5.728 7.315 1.00 0.00 H new ATOM 867 N CYS A 59 7.536 2.769 6.453 1.00 0.00 N ATOM 868 CA CYS A 59 7.563 3.020 5.025 1.00 0.00 C ATOM 869 C CYS A 59 8.930 3.563 4.628 1.00 0.00 C ATOM 870 O CYS A 59 9.113 4.766 4.447 1.00 0.00 O ATOM 871 CB CYS A 59 6.443 3.989 4.631 1.00 0.00 C ATOM 872 SG CYS A 59 6.336 5.460 5.676 1.00 0.00 S ATOM 0 H CYS A 59 8.029 3.468 7.009 1.00 0.00 H new ATOM 0 HA CYS A 59 7.394 2.086 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.594 4.301 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.490 3.460 4.668 1.00 0.00 H new ATOM 0 HG CYS A 59 5.363 6.216 5.262 1.00 0.00 H new ATOM 878 N ALA A 60 9.897 2.663 4.514 1.00 0.00 N ATOM 879 CA ALA A 60 11.289 3.049 4.296 1.00 0.00 C ATOM 880 C ALA A 60 11.635 3.052 2.811 1.00 0.00 C ATOM 881 O ALA A 60 12.799 2.938 2.435 1.00 0.00 O ATOM 882 CB ALA A 60 12.213 2.117 5.068 1.00 0.00 C ATOM 0 H ALA A 60 9.745 1.656 4.569 1.00 0.00 H new ATOM 0 HA ALA A 60 11.427 4.065 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.249 2.411 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.986 2.179 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.066 1.093 4.725 1.00 0.00 H new ATOM 888 N ASP A 61 10.599 3.181 1.982 1.00 0.00 N ATOM 889 CA ASP A 61 10.741 3.301 0.524 1.00 0.00 C ATOM 890 C ASP A 61 11.095 1.974 -0.137 1.00 0.00 C ATOM 891 O ASP A 61 11.165 1.889 -1.359 1.00 0.00 O ATOM 892 CB ASP A 61 11.761 4.379 0.137 1.00 0.00 C ATOM 893 CG ASP A 61 11.306 5.766 0.531 1.00 0.00 C ATOM 894 OD1 ASP A 61 10.343 6.271 -0.075 1.00 0.00 O ATOM 895 OD2 ASP A 61 11.914 6.360 1.449 1.00 0.00 O ATOM 0 H ASP A 61 9.631 3.206 2.301 1.00 0.00 H new ATOM 0 HA ASP A 61 9.763 3.606 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.715 4.162 0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.930 4.346 -0.939 1.00 0.00 H new ATOM 900 N ASP A 62 11.323 0.948 0.665 1.00 0.00 N ATOM 901 CA ASP A 62 11.448 -0.411 0.155 1.00 0.00 C ATOM 902 C ASP A 62 10.106 -1.112 0.303 1.00 0.00 C ATOM 903 O ASP A 62 9.763 -2.023 -0.452 1.00 0.00 O ATOM 904 CB ASP A 62 12.534 -1.178 0.916 1.00 0.00 C ATOM 905 CG ASP A 62 12.206 -1.352 2.388 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.932 -0.334 3.058 1.00 0.00 O ATOM 907 OD2 ASP A 62 12.227 -2.498 2.878 1.00 0.00 O ATOM 0 H ASP A 62 11.426 1.029 1.677 1.00 0.00 H new ATOM 0 HA ASP A 62 11.736 -0.379 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.668 -2.159 0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.482 -0.649 0.819 1.00 0.00 H new ATOM 912 N VAL A 63 9.349 -0.648 1.285 1.00 0.00 N ATOM 913 CA VAL A 63 8.012 -1.147 1.552 1.00 0.00 C ATOM 914 C VAL A 63 7.117 0.017 1.981 1.00 0.00 C ATOM 915 O VAL A 63 7.595 0.980 2.591 1.00 0.00 O ATOM 916 CB VAL A 63 8.027 -2.246 2.643 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.523 -1.690 3.969 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.655 -2.883 2.804 1.00 0.00 C ATOM 0 H VAL A 63 9.648 0.090 1.922 1.00 0.00 H new ATOM 0 HA VAL A 63 7.619 -1.597 0.640 1.00 0.00 H new ATOM 0 HB VAL A 63 8.720 -3.023 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.524 -2.482 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.535 -1.305 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.866 -0.884 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.699 -3.650 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.931 -2.120 3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.351 -3.336 1.860 1.00 0.00 H new ATOM 928 N ALA A 64 5.841 -0.048 1.635 1.00 0.00 N ATOM 929 CA ALA A 64 4.898 0.991 2.021 1.00 0.00 C ATOM 930 C ALA A 64 3.509 0.411 2.233 1.00 0.00 C ATOM 931 O ALA A 64 2.967 -0.253 1.355 1.00 0.00 O ATOM 932 CB ALA A 64 4.860 2.092 0.971 1.00 0.00 C ATOM 0 H ALA A 64 5.435 -0.807 1.089 1.00 0.00 H new ATOM 0 HA ALA A 64 5.234 1.421 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.150 2.861 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.852 2.533 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.551 1.672 0.014 1.00 0.00 H new ATOM 938 N TYR A 65 2.941 0.654 3.405 1.00 0.00 N ATOM 939 CA TYR A 65 1.601 0.183 3.712 1.00 0.00 C ATOM 940 C TYR A 65 0.589 1.302 3.519 1.00 0.00 C ATOM 941 O TYR A 65 0.714 2.372 4.113 1.00 0.00 O ATOM 942 CB TYR A 65 1.536 -0.351 5.145 1.00 0.00 C ATOM 943 CG TYR A 65 2.362 -1.599 5.360 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.817 -2.857 5.147 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.686 -1.519 5.778 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.565 -4.000 5.341 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.442 -2.659 5.974 1.00 0.00 C ATOM 948 CZ TYR A 65 3.874 -3.898 5.755 1.00 0.00 C ATOM 949 OH TYR A 65 4.618 -5.040 5.947 1.00 0.00 O ATOM 0 H TYR A 65 3.389 1.175 4.159 1.00 0.00 H new ATOM 0 HA TYR A 65 1.356 -0.630 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.879 0.425 5.830 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.497 -0.564 5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.790 -2.943 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.131 -0.550 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.125 -4.971 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.470 -2.581 6.296 1.00 0.00 H new ATOM 0 HH TYR A 65 4.611 -5.577 5.127 1.00 0.00 H new ATOM 959 N ILE A 66 -0.400 1.059 2.675 1.00 0.00 N ATOM 960 CA ILE A 66 -1.422 2.056 2.388 1.00 0.00 C ATOM 961 C ILE A 66 -2.782 1.582 2.875 1.00 0.00 C ATOM 962 O ILE A 66 -3.165 0.437 2.650 1.00 0.00 O ATOM 963 CB ILE A 66 -1.508 2.362 0.878 1.00 0.00 C ATOM 964 CG1 ILE A 66 -0.134 2.758 0.339 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.526 3.469 0.613 1.00 0.00 C ATOM 966 CD1 ILE A 66 -0.137 3.117 -1.131 1.00 0.00 C ATOM 0 H ILE A 66 -0.518 0.178 2.175 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.138 2.967 2.915 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.838 1.462 0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.239 3.608 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.561 1.934 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.573 3.671 -0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.508 3.153 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.225 4.374 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.872 3.387 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.479 2.262 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.806 3.961 -1.298 1.00 0.00 H new ATOM 978 N ASN A 67 -3.505 2.454 3.554 1.00 0.00 N ATOM 979 CA ASN A 67 -4.845 2.130 4.004 1.00 0.00 C ATOM 980 C ASN A 67 -5.863 2.806 3.104 1.00 0.00 C ATOM 981 O ASN A 67 -5.919 4.035 3.016 1.00 0.00 O ATOM 982 CB ASN A 67 -5.047 2.550 5.462 1.00 0.00 C ATOM 983 CG ASN A 67 -4.104 1.831 6.411 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.725 2.364 7.451 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.715 0.613 6.062 1.00 0.00 N ATOM 0 H ASN A 67 -3.187 3.390 3.805 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.984 1.050 3.948 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.896 3.626 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.077 2.347 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.081 0.088 6.664 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.049 0.201 5.191 1.00 0.00 H new ATOM 992 N VAL A 68 -6.648 1.996 2.418 1.00 0.00 N ATOM 993 CA VAL A 68 -7.596 2.498 1.441 1.00 0.00 C ATOM 994 C VAL A 68 -9.025 2.228 1.895 1.00 0.00 C ATOM 995 O VAL A 68 -9.370 1.111 2.272 1.00 0.00 O ATOM 996 CB VAL A 68 -7.349 1.870 0.047 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.406 0.346 0.105 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.341 2.406 -0.976 1.00 0.00 C ATOM 0 H VAL A 68 -6.647 0.981 2.521 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.451 3.575 1.358 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.345 2.155 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.229 -0.063 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.641 -0.021 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.389 0.032 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.146 1.949 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.356 2.166 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.233 3.488 -1.056 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.839 3.263 1.881 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.232 3.138 2.253 1.00 0.00 C ATOM 1010 C GLU A 69 -12.111 3.283 1.020 1.00 0.00 C ATOM 1011 O GLU A 69 -12.151 4.343 0.391 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.604 4.187 3.303 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.023 4.043 3.829 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.354 5.059 4.902 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.807 6.170 4.552 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.175 4.745 6.095 1.00 0.00 O ATOM 0 H GLU A 69 -9.557 4.206 1.614 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.393 2.151 2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.907 4.117 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.484 5.180 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.725 4.152 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.157 3.039 4.231 1.00 0.00 H new ATOM 1023 N THR A 70 -12.784 2.201 0.669 1.00 0.00 N ATOM 1024 CA THR A 70 -13.677 2.177 -0.479 1.00 0.00 C ATOM 1025 C THR A 70 -14.872 3.113 -0.269 1.00 0.00 C ATOM 1026 O THR A 70 -15.056 3.661 0.820 1.00 0.00 O ATOM 1027 CB THR A 70 -14.184 0.744 -0.724 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.968 0.310 0.394 1.00 0.00 O ATOM 1029 CG2 THR A 70 -13.021 -0.214 -0.919 1.00 0.00 C ATOM 0 H THR A 70 -12.728 1.315 1.170 1.00 0.00 H new ATOM 0 HA THR A 70 -13.116 2.521 -1.348 1.00 0.00 H new ATOM 0 HB THR A 70 -14.794 0.747 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.374 0.042 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.403 -1.220 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.430 0.101 -1.779 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.394 -0.211 -0.027 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.693 3.292 -1.299 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.866 4.157 -1.181 1.00 0.00 C ATOM 1039 C LYS A 71 -18.014 3.432 -0.484 1.00 0.00 C ATOM 1040 O LYS A 71 -19.083 3.996 -0.259 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.287 4.694 -2.550 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.261 5.652 -3.133 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.732 6.318 -4.418 1.00 0.00 C ATOM 1044 CE LYS A 71 -15.681 7.297 -4.925 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.116 8.047 -6.135 1.00 0.00 N ATOM 0 H LYS A 71 -15.572 2.857 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.597 5.012 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.433 3.860 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.246 5.203 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.030 6.421 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.336 5.110 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.929 5.561 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.671 6.842 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.441 8.006 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.765 6.752 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.290 8.252 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.798 7.474 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.565 8.940 -5.847 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.775 2.172 -0.134 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.674 1.436 0.743 1.00 0.00 C ATOM 1061 C GLU A 72 -18.141 1.528 2.171 1.00 0.00 C ATOM 1062 O GLU A 72 -18.630 0.870 3.091 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.784 -0.025 0.293 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.303 -0.178 -1.130 1.00 0.00 C ATOM 1065 CD GLU A 72 -19.412 -1.624 -1.570 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -20.457 -2.256 -1.303 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -18.459 -2.131 -2.196 1.00 0.00 O ATOM 0 H GLU A 72 -16.963 1.639 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.673 1.869 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.804 -0.496 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.447 -0.559 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.283 0.294 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.639 0.354 -1.812 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.108 2.360 2.312 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.428 2.629 3.576 1.00 0.00 C ATOM 1076 C ARG A 73 -15.750 1.377 4.132 1.00 0.00 C ATOM 1077 O ARG A 73 -15.358 1.330 5.298 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.372 3.246 4.611 1.00 0.00 C ATOM 1079 CG ARG A 73 -16.619 4.049 5.657 1.00 0.00 C ATOM 1080 CD ARG A 73 -17.543 4.772 6.614 1.00 0.00 C ATOM 1081 NE ARG A 73 -16.799 5.696 7.468 1.00 0.00 N ATOM 1082 CZ ARG A 73 -16.599 5.521 8.773 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -17.134 4.480 9.404 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -15.872 6.397 9.450 1.00 0.00 N ATOM 0 H ARG A 73 -16.712 2.878 1.528 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.649 3.361 3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.092 3.891 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.941 2.455 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.967 3.382 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.977 4.776 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -18.298 5.321 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.071 4.046 7.232 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.406 6.532 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.702 3.808 8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.976 4.353 10.404 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.468 7.202 8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.717 6.267 10.450 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.592 0.371 3.287 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.837 -0.818 3.656 1.00 0.00 C ATOM 1100 C ASN A 74 -13.359 -0.551 3.438 1.00 0.00 C ATOM 1101 O ASN A 74 -12.913 -0.378 2.303 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.288 -2.037 2.844 1.00 0.00 C ATOM 1103 CG ASN A 74 -16.692 -2.482 3.204 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -17.133 -2.316 4.342 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -17.400 -3.061 2.248 1.00 0.00 N ATOM 0 H ASN A 74 -15.975 0.353 2.342 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.020 -1.042 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.246 -1.798 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.594 -2.860 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.347 -3.388 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.999 -3.180 1.318 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.615 -0.487 4.525 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.212 -0.113 4.466 1.00 0.00 C ATOM 1114 C ARG A 75 -10.319 -1.350 4.455 1.00 0.00 C ATOM 1115 O ARG A 75 -10.592 -2.332 5.145 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.861 0.799 5.645 1.00 0.00 C ATOM 1117 CG ARG A 75 -10.997 0.129 7.003 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.788 0.983 7.980 1.00 0.00 C ATOM 1119 NE ARG A 75 -13.198 1.075 7.610 1.00 0.00 N ATOM 1120 CZ ARG A 75 -14.192 0.621 8.373 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -13.928 0.107 9.569 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -15.444 0.700 7.945 1.00 0.00 N ATOM 0 H ARG A 75 -12.959 -0.690 5.464 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.038 0.433 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.837 1.153 5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.506 1.677 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.489 -0.836 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.006 -0.067 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.703 0.561 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.357 1.984 8.018 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.435 1.511 6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.965 0.060 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.688 -0.241 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.646 1.108 7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.205 0.353 8.528 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.267 -1.298 3.658 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.329 -2.401 3.546 1.00 0.00 C ATOM 1138 C TYR A 76 -6.896 -1.905 3.673 1.00 0.00 C ATOM 1139 O TYR A 76 -6.619 -0.716 3.510 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.510 -3.133 2.211 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.786 -3.946 2.124 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.965 -3.387 1.645 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -9.807 -5.275 2.526 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -12.128 -4.132 1.571 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -10.965 -6.025 2.454 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.122 -5.448 1.976 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.277 -6.197 1.903 1.00 0.00 O ATOM 0 H TYR A 76 -9.039 -0.494 3.073 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.533 -3.097 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.501 -2.402 1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.658 -3.794 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.973 -2.355 1.326 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.902 -5.730 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.037 -3.684 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.964 -7.058 2.770 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.099 -7.105 2.227 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.993 -2.822 3.974 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.578 -2.507 4.077 1.00 0.00 C ATOM 1159 C CYS A 77 -3.816 -3.127 2.913 1.00 0.00 C ATOM 1160 O CYS A 77 -3.855 -4.342 2.708 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.013 -3.017 5.404 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.794 -2.303 6.869 1.00 0.00 S ATOM 0 H CYS A 77 -6.218 -3.801 4.153 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.460 -1.424 4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.123 -4.101 5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.944 -2.804 5.436 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.959 -1.824 6.549 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.137 -2.287 2.153 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.380 -2.736 0.999 1.00 0.00 C ATOM 1170 C LEU A 78 -0.885 -2.613 1.252 1.00 0.00 C ATOM 1171 O LEU A 78 -0.391 -1.552 1.636 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.761 -1.920 -0.239 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.251 -1.911 -0.591 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.495 -1.069 -1.832 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.771 -3.327 -0.799 1.00 0.00 C ATOM 0 H LEU A 78 -3.095 -1.281 2.317 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.621 -3.785 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.435 -0.891 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.206 -2.308 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.795 -1.470 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.559 -1.072 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.167 -0.046 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.934 -1.484 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.832 -3.292 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.222 -3.800 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.632 -3.904 0.115 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.180 -3.710 1.047 1.00 0.00 N ATOM 1188 CA GLU A 79 1.266 -3.736 1.168 1.00 0.00 C ATOM 1189 C GLU A 79 1.885 -3.523 -0.208 1.00 0.00 C ATOM 1190 O GLU A 79 1.828 -4.403 -1.070 1.00 0.00 O ATOM 1191 CB GLU A 79 1.707 -5.077 1.759 1.00 0.00 C ATOM 1192 CG GLU A 79 3.204 -5.216 1.973 1.00 0.00 C ATOM 1193 CD GLU A 79 3.560 -6.534 2.633 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.445 -7.589 1.970 1.00 0.00 O ATOM 1195 OE2 GLU A 79 3.940 -6.526 3.822 1.00 0.00 O ATOM 0 H GLU A 79 -0.593 -4.607 0.792 1.00 0.00 H new ATOM 0 HA GLU A 79 1.601 -2.940 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.203 -5.221 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.373 -5.877 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.717 -5.140 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.561 -4.392 2.591 1.00 0.00 H new ATOM 1202 N LEU A 80 2.431 -2.340 -0.421 1.00 0.00 N ATOM 1203 CA LEU A 80 3.000 -1.988 -1.707 1.00 0.00 C ATOM 1204 C LEU A 80 4.480 -2.343 -1.755 1.00 0.00 C ATOM 1205 O LEU A 80 5.270 -1.886 -0.922 1.00 0.00 O ATOM 1206 CB LEU A 80 2.806 -0.494 -1.986 1.00 0.00 C ATOM 1207 CG LEU A 80 3.392 0.007 -3.310 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.746 -0.706 -4.486 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.215 1.513 -3.436 1.00 0.00 C ATOM 0 H LEU A 80 2.492 -1.605 0.283 1.00 0.00 H new ATOM 0 HA LEU A 80 2.482 -2.559 -2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.738 -0.275 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.257 0.072 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 80 4.459 -0.216 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.176 -0.336 -5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.925 -1.778 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.673 -0.516 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.637 1.851 -4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.154 1.759 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.727 2.010 -2.612 1.00 0.00 H new ATOM 1221 N THR A 81 4.833 -3.179 -2.718 1.00 0.00 N ATOM 1222 CA THR A 81 6.219 -3.528 -2.977 1.00 0.00 C ATOM 1223 C THR A 81 6.459 -3.543 -4.482 1.00 0.00 C ATOM 1224 O THR A 81 5.568 -3.190 -5.255 1.00 0.00 O ATOM 1225 CB THR A 81 6.583 -4.901 -2.377 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.636 -5.891 -2.798 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.626 -4.843 -0.856 1.00 0.00 C ATOM 0 H THR A 81 4.166 -3.634 -3.342 1.00 0.00 H new ATOM 0 HA THR A 81 6.854 -2.781 -2.501 1.00 0.00 H new ATOM 0 HB THR A 81 7.575 -5.173 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.877 -6.759 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.885 -5.826 -0.462 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.375 -4.116 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.649 -4.545 -0.475 1.00 0.00 H new ATOM 1235 N GLU A 82 7.641 -3.974 -4.908 1.00 0.00 N ATOM 1236 CA GLU A 82 7.970 -3.994 -6.329 1.00 0.00 C ATOM 1237 C GLU A 82 7.289 -5.175 -7.018 1.00 0.00 C ATOM 1238 O GLU A 82 7.307 -5.293 -8.244 1.00 0.00 O ATOM 1239 CB GLU A 82 9.490 -4.042 -6.559 1.00 0.00 C ATOM 1240 CG GLU A 82 10.158 -5.353 -6.157 1.00 0.00 C ATOM 1241 CD GLU A 82 10.222 -5.556 -4.659 1.00 0.00 C ATOM 1242 OE1 GLU A 82 9.233 -6.045 -4.081 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.264 -5.237 -4.055 1.00 0.00 O ATOM 0 H GLU A 82 8.383 -4.312 -4.295 1.00 0.00 H new ATOM 0 HA GLU A 82 7.599 -3.067 -6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.689 -3.858 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.953 -3.229 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.613 -6.183 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.169 -5.378 -6.564 1.00 0.00 H new ATOM 1250 N ALA A 83 6.696 -6.050 -6.217 1.00 0.00 N ATOM 1251 CA ALA A 83 5.936 -7.172 -6.743 1.00 0.00 C ATOM 1252 C ALA A 83 4.504 -6.744 -7.037 1.00 0.00 C ATOM 1253 O ALA A 83 3.783 -7.411 -7.779 1.00 0.00 O ATOM 1254 CB ALA A 83 5.951 -8.331 -5.758 1.00 0.00 C ATOM 0 H ALA A 83 6.728 -6.003 -5.199 1.00 0.00 H new ATOM 0 HA ALA A 83 6.400 -7.503 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.378 -9.163 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.979 -8.649 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.507 -8.013 -4.815 1.00 0.00 H new ATOM 1260 N GLY A 84 4.103 -5.621 -6.454 1.00 0.00 N ATOM 1261 CA GLY A 84 2.760 -5.124 -6.647 1.00 0.00 C ATOM 1262 C GLY A 84 2.085 -4.775 -5.337 1.00 0.00 C ATOM 1263 O GLY A 84 2.754 -4.582 -4.317 1.00 0.00 O ATOM 0 H GLY A 84 4.689 -5.046 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.790 -4.241 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.168 -5.875 -7.170 1.00 0.00 H new ATOM 1267 N LEU A 85 0.761 -4.703 -5.359 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.012 -4.378 -4.170 1.00 0.00 C ATOM 1269 C LEU A 85 -0.612 -5.646 -3.582 1.00 0.00 C ATOM 1270 O LEU A 85 -1.440 -6.303 -4.217 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.129 -3.374 -4.483 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.678 -1.980 -4.940 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.225 -1.998 -6.391 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.800 -0.971 -4.748 1.00 0.00 C ATOM 0 H LEU A 85 0.198 -4.867 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 85 0.662 -3.919 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.765 -3.800 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.746 -3.259 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 85 0.172 -1.683 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.089 -0.997 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.611 -2.688 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.050 -2.322 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.465 0.013 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.666 -1.274 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.074 -0.928 -3.694 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.187 -5.982 -2.375 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.612 -7.206 -1.716 1.00 0.00 C ATOM 1288 C LYS A 86 -1.461 -6.894 -0.489 1.00 0.00 C ATOM 1289 O LYS A 86 -0.988 -6.281 0.462 1.00 0.00 O ATOM 1290 CB LYS A 86 0.629 -8.020 -1.330 1.00 0.00 C ATOM 1291 CG LYS A 86 0.383 -9.142 -0.334 1.00 0.00 C ATOM 1292 CD LYS A 86 1.646 -9.965 -0.128 1.00 0.00 C ATOM 1293 CE LYS A 86 1.681 -10.622 1.243 1.00 0.00 C ATOM 1294 NZ LYS A 86 1.732 -9.612 2.333 1.00 0.00 N ATOM 0 H LYS A 86 0.460 -5.416 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.229 -7.790 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.060 -8.447 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.373 -7.342 -0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.056 -8.724 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.421 -9.784 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.708 -10.733 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.520 -9.324 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.799 -11.250 1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.550 -11.276 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.652 -10.090 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.634 -9.097 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.945 -8.941 2.222 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.723 -7.302 -0.528 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.636 -7.071 0.586 1.00 0.00 C ATOM 1310 C VAL A 87 -3.128 -7.778 1.839 1.00 0.00 C ATOM 1311 O VAL A 87 -2.760 -8.953 1.788 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.061 -7.568 0.264 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.029 -7.221 1.390 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.547 -6.991 -1.057 1.00 0.00 C ATOM 0 H VAL A 87 -3.138 -7.795 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.676 -5.995 0.758 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.025 -8.654 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.026 -7.583 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.696 -7.692 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.059 -6.140 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.553 -7.354 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.559 -5.903 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.877 -7.302 -1.858 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.086 -7.053 2.951 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.584 -7.612 4.202 1.00 0.00 C ATOM 1326 C VAL A 88 -3.596 -7.491 5.335 1.00 0.00 C ATOM 1327 O VAL A 88 -3.369 -8.011 6.425 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.264 -6.942 4.640 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.135 -7.328 3.701 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.414 -5.430 4.693 1.00 0.00 C ATOM 0 H VAL A 88 -3.392 -6.082 3.013 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.404 -8.668 4.002 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.021 -7.296 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.788 -6.847 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.004 -8.410 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.377 -7.005 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.471 -4.981 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.685 -5.056 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.194 -5.167 5.407 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.709 -6.813 5.091 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.694 -6.651 6.140 1.00 0.00 C ATOM 1342 C GLY A 89 -6.907 -5.864 5.701 1.00 0.00 C ATOM 1343 O GLY A 89 -6.957 -5.355 4.581 1.00 0.00 O ATOM 0 H GLY A 89 -4.945 -6.378 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.013 -7.635 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.231 -6.149 6.990 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.881 -5.758 6.595 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.121 -5.042 6.326 1.00 0.00 C ATOM 1349 C TYR A 90 -9.442 -4.077 7.464 1.00 0.00 C ATOM 1350 O TYR A 90 -10.405 -4.265 8.211 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.280 -6.026 6.095 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.103 -7.365 6.783 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.421 -7.533 8.124 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.609 -8.459 6.084 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.255 -8.757 8.747 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.439 -9.684 6.701 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.762 -9.827 8.033 1.00 0.00 C ATOM 1358 OH TYR A 90 -9.590 -11.048 8.652 1.00 0.00 O ATOM 0 H TYR A 90 -7.834 -6.167 7.528 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.989 -4.459 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.205 -5.569 6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.393 -6.192 5.024 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.804 -6.696 8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.353 -8.350 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.511 -8.873 9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.055 -10.525 6.142 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.235 -11.695 8.007 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.597 -3.060 7.596 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.744 -2.027 8.614 1.00 0.00 C ATOM 1370 C ALA A 91 -7.681 -0.955 8.399 1.00 0.00 C ATOM 1371 O ALA A 91 -7.201 -0.777 7.281 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.622 -2.625 10.009 1.00 0.00 C ATOM 0 H ALA A 91 -7.784 -2.929 6.994 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.733 -1.578 8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.735 -1.837 10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.400 -3.374 10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.643 -3.092 10.120 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.327 -0.238 9.455 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.229 0.718 9.391 1.00 0.00 C ATOM 1380 C PHE A 92 -5.037 0.186 10.180 1.00 0.00 C ATOM 1381 O PHE A 92 -5.187 -0.206 11.339 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.657 2.083 9.936 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.749 2.750 9.143 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.574 3.042 7.798 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.944 3.096 9.748 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.575 3.664 7.074 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.945 3.721 9.031 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.761 4.006 7.692 1.00 0.00 C ATOM 0 H PHE A 92 -7.783 -0.299 10.366 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.943 0.847 8.347 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.994 1.961 10.965 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.788 2.740 9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.646 2.781 7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.096 2.875 10.794 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.429 3.882 6.026 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.872 3.987 9.517 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.543 4.495 7.130 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.865 0.162 9.536 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.631 -0.361 10.144 1.00 0.00 C ATOM 1400 C ASP A 93 -2.785 -1.830 10.544 1.00 0.00 C ATOM 1401 O ASP A 93 -2.119 -2.312 11.461 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.226 0.463 11.374 1.00 0.00 C ATOM 1403 CG ASP A 93 -1.840 1.893 11.042 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -0.649 2.148 10.752 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -2.721 2.779 11.097 1.00 0.00 O ATOM 0 H ASP A 93 -3.742 0.503 8.582 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.848 -0.282 9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.053 0.473 12.083 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.387 -0.026 11.870 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.641 -2.546 9.827 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.941 -3.935 10.145 1.00 0.00 C ATOM 1412 C GLN A 94 -3.251 -4.872 9.161 1.00 0.00 C ATOM 1413 O GLN A 94 -3.681 -5.016 8.017 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.457 -4.164 10.121 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.879 -5.610 10.350 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.392 -6.166 11.674 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -4.312 -6.745 11.756 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -6.186 -5.992 12.717 1.00 0.00 N ATOM 0 H GLN A 94 -4.143 -2.184 9.016 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.566 -4.151 11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.919 -3.538 10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.847 -3.833 9.159 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.966 -5.676 10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.494 -6.228 9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.075 -5.505 12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.909 -6.345 13.633 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.174 -5.495 9.611 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.435 -6.435 8.785 1.00 0.00 C ATOM 1429 C VAL A 95 -1.468 -7.826 9.402 1.00 0.00 C ATOM 1430 O VAL A 95 -0.980 -8.044 10.516 1.00 0.00 O ATOM 1431 CB VAL A 95 0.020 -5.970 8.583 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.831 -6.995 7.805 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.035 -4.633 7.866 1.00 0.00 C ATOM 0 H VAL A 95 -1.791 -5.366 10.548 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.915 -6.475 7.807 1.00 0.00 H new ATOM 0 HB VAL A 95 0.482 -5.861 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.852 -6.633 7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.844 -7.939 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.379 -7.148 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.066 -4.307 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.449 -4.735 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.501 -3.894 8.462 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.060 -8.755 8.673 1.00 0.00 N ATOM 1444 CA ASP A 96 -2.261 -10.107 9.157 1.00 0.00 C ATOM 1445 C ASP A 96 -1.662 -11.116 8.187 1.00 0.00 C ATOM 1446 O ASP A 96 -1.815 -10.987 6.973 1.00 0.00 O ATOM 1447 CB ASP A 96 -3.759 -10.361 9.329 1.00 0.00 C ATOM 1448 CG ASP A 96 -4.064 -11.701 9.958 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -3.160 -12.286 10.591 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -5.216 -12.165 9.833 1.00 0.00 O ATOM 0 H ASP A 96 -2.414 -8.593 7.730 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.760 -10.223 10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.187 -9.571 9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.245 -10.304 8.355 1.00 0.00 H new ATOM 1455 N ASP A 97 -0.993 -12.125 8.727 1.00 0.00 N ATOM 1456 CA ASP A 97 -0.346 -13.142 7.904 1.00 0.00 C ATOM 1457 C ASP A 97 -1.337 -14.239 7.542 1.00 0.00 C ATOM 1458 O ASP A 97 -0.993 -15.202 6.855 1.00 0.00 O ATOM 1459 CB ASP A 97 0.860 -13.755 8.623 1.00 0.00 C ATOM 1460 CG ASP A 97 1.953 -12.746 8.914 1.00 0.00 C ATOM 1461 OD1 ASP A 97 1.909 -12.110 9.990 1.00 0.00 O ATOM 1462 OD2 ASP A 97 2.874 -12.600 8.085 1.00 0.00 O ATOM 0 H ASP A 97 -0.883 -12.263 9.732 1.00 0.00 H new ATOM 0 HA ASP A 97 0.006 -12.657 6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.528 -14.203 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.269 -14.560 8.012 1.00 0.00 H new ATOM 1467 N HIS A 98 -2.571 -14.090 8.007 1.00 0.00 N ATOM 1468 CA HIS A 98 -3.620 -15.055 7.699 1.00 0.00 C ATOM 1469 C HIS A 98 -4.231 -14.756 6.335 1.00 0.00 C ATOM 1470 O HIS A 98 -4.990 -15.563 5.795 1.00 0.00 O ATOM 1471 CB HIS A 98 -4.721 -15.047 8.766 1.00 0.00 C ATOM 1472 CG HIS A 98 -4.257 -15.419 10.144 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -3.351 -16.424 10.397 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -4.597 -14.914 11.356 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -3.155 -16.523 11.699 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -3.897 -15.619 12.304 1.00 0.00 N ATOM 0 H HIS A 98 -2.870 -13.313 8.597 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.162 -16.044 7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.166 -14.053 8.803 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.508 -15.738 8.463 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -5.290 -14.107 11.541 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.497 -17.227 12.186 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -3.944 -15.467 13.312 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.915 -13.587 5.788 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.379 -13.227 4.455 1.00 0.00 C ATOM 1487 C LEU A 99 -3.354 -13.624 3.401 1.00 0.00 C ATOM 1488 O LEU A 99 -2.256 -13.069 3.343 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.683 -11.727 4.344 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.000 -11.267 4.980 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.890 -11.226 6.493 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.400 -9.903 4.439 1.00 0.00 C ATOM 0 H LEU A 99 -3.343 -12.877 6.245 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.305 -13.775 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.865 -11.174 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.696 -11.455 3.289 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.774 -11.989 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.838 -10.896 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.651 -12.221 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.102 -10.531 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.337 -9.589 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.621 -9.177 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.529 -9.964 3.358 1.00 0.00 H new ATOM 1504 N GLN A 100 -3.717 -14.594 2.578 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.867 -15.032 1.479 1.00 0.00 C ATOM 1506 C GLN A 100 -3.339 -14.417 0.168 1.00 0.00 C ATOM 1507 O GLN A 100 -3.151 -14.988 -0.905 1.00 0.00 O ATOM 1508 CB GLN A 100 -2.866 -16.558 1.372 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.970 -17.241 2.393 1.00 0.00 C ATOM 1510 CD GLN A 100 -1.976 -18.751 2.255 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -2.985 -19.353 1.883 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -0.841 -19.373 2.533 1.00 0.00 N ATOM 0 H GLN A 100 -4.601 -15.097 2.650 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.849 -14.698 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.886 -16.923 1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.544 -16.843 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.950 -16.873 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.297 -16.970 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.028 -18.838 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.780 -20.387 2.442 1.00 0.00 H new ATOM 1521 N THR A 101 -3.949 -13.245 0.272 1.00 0.00 N ATOM 1522 CA THR A 101 -4.433 -12.515 -0.888 1.00 0.00 C ATOM 1523 C THR A 101 -3.286 -12.130 -1.823 1.00 0.00 C ATOM 1524 O THR A 101 -2.372 -11.393 -1.436 1.00 0.00 O ATOM 1525 CB THR A 101 -5.193 -11.256 -0.443 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.697 -10.816 0.829 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.687 -11.531 -0.340 1.00 0.00 C ATOM 0 H THR A 101 -4.121 -12.775 1.161 1.00 0.00 H new ATOM 0 HA THR A 101 -5.110 -13.170 -1.436 1.00 0.00 H new ATOM 0 HB THR A 101 -5.035 -10.478 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.741 -10.611 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.203 -10.624 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.067 -11.844 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.862 -12.322 0.390 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.321 -12.640 -3.064 1.00 0.00 N ATOM 1536 CA PRO A 102 -2.260 -12.411 -4.049 1.00 0.00 C ATOM 1537 C PRO A 102 -2.128 -10.942 -4.437 1.00 0.00 C ATOM 1538 O PRO A 102 -3.117 -10.208 -4.501 1.00 0.00 O ATOM 1539 CB PRO A 102 -2.698 -13.247 -5.258 1.00 0.00 C ATOM 1540 CG PRO A 102 -4.166 -13.439 -5.085 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.402 -13.482 -3.604 1.00 0.00 C ATOM 0 HA PRO A 102 -1.282 -12.689 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.475 -12.734 -6.194 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.176 -14.203 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.724 -12.624 -5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.498 -14.362 -5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.385 -13.091 -3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.350 -14.500 -3.218 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.899 -10.521 -4.690 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.633 -9.147 -5.079 1.00 0.00 C ATOM 1551 C TYR A 103 -0.913 -8.939 -6.560 1.00 0.00 C ATOM 1552 O TYR A 103 -0.765 -9.853 -7.368 1.00 0.00 O ATOM 1553 CB TYR A 103 0.815 -8.755 -4.746 1.00 0.00 C ATOM 1554 CG TYR A 103 1.856 -9.775 -5.159 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.230 -9.929 -6.489 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.473 -10.580 -4.208 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.184 -10.856 -6.859 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.429 -11.510 -4.572 1.00 0.00 C ATOM 1559 CZ TYR A 103 3.780 -11.644 -5.898 1.00 0.00 C ATOM 1560 OH TYR A 103 4.734 -12.565 -6.265 1.00 0.00 O ATOM 0 H TYR A 103 -0.070 -11.112 -4.633 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.303 -8.502 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.042 -7.807 -5.233 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.895 -8.589 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.767 -9.313 -7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.201 -10.477 -3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.462 -10.963 -7.897 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.898 -12.128 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 103 5.055 -13.038 -5.469 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.342 -7.737 -6.900 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.543 -7.364 -8.290 1.00 0.00 C ATOM 1572 C HIS A 104 -0.450 -6.392 -8.705 1.00 0.00 C ATOM 1573 O HIS A 104 -0.040 -5.544 -7.911 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.928 -6.738 -8.507 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.063 -7.716 -8.423 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.929 -7.948 -9.470 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.487 -8.509 -7.407 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.835 -8.836 -9.102 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.590 -9.193 -7.856 1.00 0.00 N ATOM 0 H HIS A 104 -1.559 -6.999 -6.230 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.492 -8.262 -8.906 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.081 -5.955 -7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.948 -6.257 -9.485 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -4.878 -7.503 -10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.040 -8.588 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.641 -9.207 -9.718 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.002 -6.501 -9.948 1.00 0.00 N ATOM 1589 CA GLU A 105 1.151 -5.740 -10.437 1.00 0.00 C ATOM 1590 C GLU A 105 0.810 -4.270 -10.632 1.00 0.00 C ATOM 1591 O GLU A 105 1.665 -3.464 -11.001 1.00 0.00 O ATOM 1592 CB GLU A 105 1.645 -6.326 -11.757 1.00 0.00 C ATOM 1593 CG GLU A 105 1.903 -7.816 -11.687 1.00 0.00 C ATOM 1594 CD GLU A 105 2.648 -8.339 -12.896 1.00 0.00 C ATOM 1595 OE1 GLU A 105 3.895 -8.286 -12.900 1.00 0.00 O ATOM 1596 OE2 GLU A 105 1.992 -8.804 -13.852 1.00 0.00 O ATOM 0 H GLU A 105 -0.421 -7.115 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 105 1.936 -5.812 -9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.907 -6.127 -12.534 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.563 -5.818 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.477 -8.039 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.952 -8.341 -11.597 1.00 0.00 H new ATOM 1603 N THR A 106 -0.439 -3.932 -10.385 1.00 0.00 N ATOM 1604 CA THR A 106 -0.923 -2.588 -10.594 1.00 0.00 C ATOM 1605 C THR A 106 -2.123 -2.314 -9.703 1.00 0.00 C ATOM 1606 O THR A 106 -2.909 -3.221 -9.404 1.00 0.00 O ATOM 1607 CB THR A 106 -1.296 -2.364 -12.073 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.193 -1.254 -12.210 1.00 0.00 O ATOM 1609 CG2 THR A 106 -1.906 -3.625 -12.673 1.00 0.00 C ATOM 0 H THR A 106 -1.143 -4.581 -10.035 1.00 0.00 H new ATOM 0 HA THR A 106 -0.124 -1.894 -10.332 1.00 0.00 H new ATOM 0 HB THR A 106 -0.382 -2.133 -12.621 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.834 -0.482 -11.725 1.00 0.00 H new ATOM 0 HG21 THR A 106 -2.162 -3.444 -13.717 1.00 0.00 H new ATOM 0 HG22 THR A 106 -1.187 -4.442 -12.612 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.806 -3.892 -12.120 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.254 -1.067 -9.278 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.350 -0.666 -8.412 1.00 0.00 C ATOM 1619 C VAL A 107 -4.682 -0.737 -9.158 1.00 0.00 C ATOM 1620 O VAL A 107 -5.735 -0.929 -8.551 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.127 0.761 -7.852 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.055 1.786 -8.974 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.212 1.128 -6.850 1.00 0.00 C ATOM 0 H VAL A 107 -1.612 -0.313 -9.520 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.381 -1.361 -7.573 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.170 0.768 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.898 2.778 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.227 1.540 -9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.988 1.775 -9.537 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.033 2.134 -6.472 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.186 1.092 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.196 0.421 -6.021 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.624 -0.636 -10.484 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.835 -0.623 -11.295 1.00 0.00 C ATOM 1635 C TYR A 108 -6.473 -2.006 -11.317 1.00 0.00 C ATOM 1636 O TYR A 108 -7.676 -2.152 -11.109 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.521 -0.146 -12.716 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.937 1.249 -12.767 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.748 2.368 -12.631 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.575 1.446 -12.944 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.221 3.644 -12.669 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -3.039 2.718 -12.983 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.864 3.811 -12.844 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.328 5.077 -12.880 1.00 0.00 O ATOM 0 H TYR A 108 -3.756 -0.562 -11.015 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.545 0.074 -10.851 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.821 -0.842 -13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.435 -0.171 -13.310 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.811 2.238 -12.493 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.924 0.591 -13.053 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.866 4.503 -12.563 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.977 2.855 -13.122 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.695 5.609 -12.143 1.00 0.00 H new ATOM 1654 N SER A 109 -5.644 -3.021 -11.527 1.00 0.00 N ATOM 1655 CA SER A 109 -6.103 -4.404 -11.547 1.00 0.00 C ATOM 1656 C SER A 109 -6.578 -4.843 -10.161 1.00 0.00 C ATOM 1657 O SER A 109 -7.366 -5.779 -10.024 1.00 0.00 O ATOM 1658 CB SER A 109 -4.969 -5.315 -12.035 1.00 0.00 C ATOM 1659 OG SER A 109 -5.291 -6.686 -11.874 1.00 0.00 O ATOM 0 H SER A 109 -4.643 -2.910 -11.687 1.00 0.00 H new ATOM 0 HA SER A 109 -6.948 -4.482 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.765 -5.110 -13.086 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.057 -5.088 -11.483 1.00 0.00 H new ATOM 0 HG SER A 109 -4.547 -7.237 -12.196 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.094 -4.163 -9.134 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.446 -4.512 -7.771 1.00 0.00 C ATOM 1667 C LEU A 110 -7.732 -3.821 -7.336 1.00 0.00 C ATOM 1668 O LEU A 110 -8.677 -4.474 -6.896 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.318 -4.144 -6.811 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.616 -4.453 -5.347 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.733 -5.956 -5.131 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.549 -3.857 -4.446 1.00 0.00 C ATOM 0 H LEU A 110 -5.459 -3.370 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.605 -5.590 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.415 -4.679 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.105 -3.080 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.571 -3.997 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.946 -6.157 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.541 -6.350 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.796 -6.438 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.780 -4.089 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.578 -4.278 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.522 -2.776 -4.580 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.770 -2.503 -7.468 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.909 -1.719 -6.997 1.00 0.00 C ATOM 1686 C LEU A 111 -10.163 -2.054 -7.798 1.00 0.00 C ATOM 1687 O LEU A 111 -11.286 -1.855 -7.329 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.593 -0.225 -7.097 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.593 0.705 -6.408 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.708 0.360 -4.932 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.170 2.153 -6.583 1.00 0.00 C ATOM 0 H LEU A 111 -7.027 -1.952 -7.897 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.097 -1.970 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.606 -0.050 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.536 0.047 -8.151 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.571 0.570 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.423 1.031 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.049 -0.670 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.734 0.471 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.890 2.805 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.184 2.300 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.132 2.395 -7.645 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.955 -2.590 -8.996 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.055 -2.998 -9.869 1.00 0.00 C ATOM 1705 C ASP A 112 -11.936 -4.035 -9.184 1.00 0.00 C ATOM 1706 O ASP A 112 -13.164 -3.991 -9.281 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.500 -3.571 -11.178 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.580 -4.084 -12.113 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.147 -3.276 -12.877 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.833 -5.310 -12.122 1.00 0.00 O ATOM 0 H ASP A 112 -9.028 -2.754 -9.389 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.662 -2.119 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.923 -2.800 -11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.812 -4.384 -10.948 1.00 0.00 H new ATOM 1715 N THR A 113 -11.302 -4.949 -8.462 1.00 0.00 N ATOM 1716 CA THR A 113 -12.019 -6.035 -7.816 1.00 0.00 C ATOM 1717 C THR A 113 -12.418 -5.656 -6.389 1.00 0.00 C ATOM 1718 O THR A 113 -13.210 -6.352 -5.750 1.00 0.00 O ATOM 1719 CB THR A 113 -11.172 -7.332 -7.798 1.00 0.00 C ATOM 1720 OG1 THR A 113 -11.982 -8.454 -7.417 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.997 -7.216 -6.837 1.00 0.00 C ATOM 0 H THR A 113 -10.293 -4.958 -8.310 1.00 0.00 H new ATOM 0 HA THR A 113 -12.923 -6.218 -8.396 1.00 0.00 H new ATOM 0 HB THR A 113 -10.786 -7.482 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.637 -8.172 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.424 -8.143 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.356 -6.389 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.368 -7.032 -5.829 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.880 -4.545 -5.898 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.121 -4.122 -4.523 1.00 0.00 C ATOM 1731 C LEU A 114 -13.304 -3.166 -4.431 1.00 0.00 C ATOM 1732 O LEU A 114 -13.923 -3.037 -3.374 1.00 0.00 O ATOM 1733 CB LEU A 114 -10.877 -3.444 -3.940 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.647 -4.338 -3.784 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.481 -3.538 -3.227 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.956 -5.527 -2.887 1.00 0.00 C ATOM 0 H LEU A 114 -11.274 -3.921 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.352 -5.018 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.612 -2.601 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.133 -3.035 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.370 -4.718 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.612 -4.187 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.243 -2.721 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.751 -3.132 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.067 -6.150 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.259 -5.171 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.764 -6.113 -3.325 1.00 0.00 H new ATOM 1748 N SER A 115 -13.606 -2.477 -5.523 1.00 0.00 N ATOM 1749 CA SER A 115 -14.689 -1.507 -5.520 1.00 0.00 C ATOM 1750 C SER A 115 -15.363 -1.410 -6.879 1.00 0.00 C ATOM 1751 O SER A 115 -14.713 -1.129 -7.885 1.00 0.00 O ATOM 1752 CB SER A 115 -14.158 -0.126 -5.123 1.00 0.00 C ATOM 1753 OG SER A 115 -13.561 -0.160 -3.844 1.00 0.00 O ATOM 0 H SER A 115 -13.120 -2.571 -6.415 1.00 0.00 H new ATOM 0 HA SER A 115 -15.428 -1.847 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.429 0.212 -5.859 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.974 0.596 -5.128 1.00 0.00 H new ATOM 0 HG SER A 115 -12.620 0.106 -3.915 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.684 -1.627 -6.926 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.473 -1.360 -8.125 1.00 0.00 C ATOM 1761 C PRO A 116 -17.461 0.131 -8.456 1.00 0.00 C ATOM 1762 O PRO A 116 -17.593 0.526 -9.613 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.885 -1.829 -7.752 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.910 -1.868 -6.262 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.505 -2.168 -5.825 1.00 0.00 C ATOM 0 HA PRO A 116 -17.085 -1.868 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.641 -1.146 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -19.097 -2.811 -8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.249 -0.916 -5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.600 -2.632 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.269 -1.690 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.345 -3.238 -5.692 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.246 0.949 -7.426 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.199 2.396 -7.575 1.00 0.00 C ATOM 1775 C ALA A 117 -16.002 2.814 -8.416 1.00 0.00 C ATOM 1776 O ALA A 117 -15.989 3.896 -8.996 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.150 3.063 -6.212 1.00 0.00 C ATOM 0 H ALA A 117 -17.100 0.625 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.104 2.718 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.115 4.145 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.039 2.792 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.261 2.731 -5.676 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.002 1.945 -8.477 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.854 2.160 -9.344 1.00 0.00 C ATOM 1785 C TYR A 118 -14.306 2.147 -10.796 1.00 0.00 C ATOM 1786 O TYR A 118 -13.878 2.965 -11.608 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.807 1.066 -9.104 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.675 1.052 -10.111 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.600 1.922 -9.996 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.688 0.166 -11.182 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.568 1.906 -10.916 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.662 0.143 -12.104 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.606 1.016 -11.968 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.586 0.999 -12.890 1.00 0.00 O ATOM 0 H TYR A 118 -14.964 1.082 -7.934 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.405 3.128 -9.119 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.388 1.194 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.303 0.096 -9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.569 2.623 -9.175 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.517 -0.517 -11.294 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.737 2.587 -10.811 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.687 -0.555 -12.927 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.767 0.312 -13.565 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.208 1.227 -11.096 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.719 1.051 -12.442 1.00 0.00 C ATOM 1806 C ARG A 119 -16.794 2.094 -12.725 1.00 0.00 C ATOM 1807 O ARG A 119 -16.968 2.530 -13.865 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.257 -0.373 -12.600 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.258 -1.423 -12.131 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.822 -2.831 -12.213 1.00 0.00 C ATOM 1811 NE ARG A 119 -15.947 -3.297 -13.592 1.00 0.00 N ATOM 1812 CZ ARG A 119 -16.460 -4.479 -13.927 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -16.899 -5.304 -12.985 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -16.520 -4.850 -15.199 1.00 0.00 N ATOM 0 H ARG A 119 -15.605 0.582 -10.413 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.919 1.193 -13.168 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.182 -0.475 -12.032 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.504 -0.552 -13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.355 -1.359 -12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.966 -1.210 -11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.176 -3.512 -11.659 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.800 -2.857 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 119 -15.623 -2.683 -14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.844 -5.033 -12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.292 -6.209 -13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -16.172 -4.228 -15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -16.914 -5.757 -15.448 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.507 2.501 -11.673 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.405 3.649 -11.761 1.00 0.00 C ATOM 1830 C GLU A 120 -17.616 4.901 -12.125 1.00 0.00 C ATOM 1831 O GLU A 120 -17.959 5.603 -13.075 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.148 3.892 -10.440 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.551 3.305 -10.394 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.567 1.817 -10.133 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.416 1.421 -8.957 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.760 1.043 -11.092 1.00 0.00 O ATOM 0 H GLU A 120 -17.479 2.054 -10.756 1.00 0.00 H new ATOM 0 HA GLU A 120 -19.141 3.429 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.563 3.468 -9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.210 4.966 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -21.123 3.810 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -21.053 3.506 -11.340 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.553 5.162 -11.367 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.723 6.342 -11.568 1.00 0.00 C ATOM 1845 C ALA A 121 -15.092 6.341 -12.953 1.00 0.00 C ATOM 1846 O ALA A 121 -15.089 7.361 -13.638 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.648 6.425 -10.490 1.00 0.00 C ATOM 0 H ALA A 121 -16.246 4.563 -10.600 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.362 7.222 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.036 7.312 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.120 6.486 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.018 5.536 -10.535 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.570 5.192 -13.369 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.944 5.075 -14.680 1.00 0.00 C ATOM 1855 C PHE A 122 -14.963 5.354 -15.783 1.00 0.00 C ATOM 1856 O PHE A 122 -14.697 6.129 -16.705 1.00 0.00 O ATOM 1857 CB PHE A 122 -13.333 3.683 -14.854 1.00 0.00 C ATOM 1858 CG PHE A 122 -12.530 3.528 -16.113 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -11.322 4.188 -16.259 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -12.983 2.728 -17.149 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -10.580 4.055 -17.416 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -12.246 2.591 -18.310 1.00 0.00 C ATOM 1863 CZ PHE A 122 -11.042 3.254 -18.443 1.00 0.00 C ATOM 0 H PHE A 122 -14.568 4.332 -12.820 1.00 0.00 H new ATOM 0 HA PHE A 122 -13.147 5.815 -14.753 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.694 3.467 -13.998 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.133 2.942 -14.850 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.956 4.814 -15.459 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.923 2.205 -17.048 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.640 4.576 -17.518 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -12.611 1.966 -19.112 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.462 3.147 -19.348 1.00 0.00 H new