USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 180:sc= 1.11 USER MOD Set 1.2: A 109 SER OG : rot -94:sc= 1.36 USER MOD Set 2.1: A 86 LYS NZ :NH3+ -169:sc= 1.75 (180deg=0.194) USER MOD Set 2.2: A 101 THR OG1 : rot 164:sc= 1.81 USER MOD Set 3.1: A 54 SER OG : rot -26:sc= 1.25 USER MOD Set 3.2: A 67 ASN : amide:sc= 0.0833 K(o=2.1,f=0.38) USER MOD Set 3.3: A 77 CYS SG : rot 78:sc= 0.751 USER MOD Set 4.1: A 74 ASN : amide:sc= 0.48 X(o=0.93,f=0.72) USER MOD Set 4.2: A 76 TYR OH : rot 180:sc= 0.448 USER MOD Single : A 33 MET CE :methyl 149:sc= -0.207 (180deg=-1.76) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 49 ASN : amide:sc= -2.2 K(o=-2.2,f=-3!) USER MOD Single : A 50 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD Single : A 51 MET CE :methyl -110:sc= -0.218 (180deg=-1.71) USER MOD Single : A 55 LYS NZ :NH3+ 167:sc= -0.0197 (180deg=-0.21) USER MOD Single : A 56 SER OG : rot 115:sc= 1.24 USER MOD Single : A 59 CYS SG : rot 28:sc= -2.36! USER MOD Single : A 65 TYR OH : rot 77:sc= 0.215 USER MOD Single : A 70 THR OG1 : rot -84:sc= 1.31 USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.07) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.055) USER MOD Single : A 98 HIS : no HD1:sc= -0.037 X(o=-0.037,f=-0.047) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0739 F(o=-1.8!,f=-0.074) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 62:sc= 1.27 USER MOD Single : A 113 THR OG1 : rot 87:sc= 1.21 USER MOD Single : A 115 SER OG : rot 150:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.982 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.269 5.436 -3.290 1.00 0.00 N ATOM 439 CA ASP A 32 11.412 5.257 -2.128 1.00 0.00 C ATOM 440 C ASP A 32 10.033 4.816 -2.589 1.00 0.00 C ATOM 441 O ASP A 32 9.492 5.360 -3.556 1.00 0.00 O ATOM 442 CB ASP A 32 11.270 6.550 -1.318 1.00 0.00 C ATOM 443 CG ASP A 32 12.571 7.052 -0.730 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.127 6.386 0.163 1.00 0.00 O ATOM 445 OD2 ASP A 32 13.025 8.140 -1.142 1.00 0.00 O ATOM 0 HA ASP A 32 11.870 4.503 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.850 7.325 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.558 6.384 -0.510 1.00 0.00 H new ATOM 450 N MET A 33 9.458 3.844 -1.902 1.00 0.00 N ATOM 451 CA MET A 33 8.130 3.364 -2.248 1.00 0.00 C ATOM 452 C MET A 33 7.096 4.411 -1.866 1.00 0.00 C ATOM 453 O MET A 33 6.017 4.471 -2.442 1.00 0.00 O ATOM 454 CB MET A 33 7.830 2.042 -1.539 1.00 0.00 C ATOM 455 CG MET A 33 6.686 1.265 -2.171 1.00 0.00 C ATOM 456 SD MET A 33 7.015 0.832 -3.893 1.00 0.00 S ATOM 457 CE MET A 33 8.548 -0.069 -3.703 1.00 0.00 C ATOM 0 H MET A 33 9.887 3.373 -1.105 1.00 0.00 H new ATOM 0 HA MET A 33 8.088 3.189 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.727 1.423 -1.545 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.589 2.244 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.509 0.355 -1.598 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.774 1.859 -2.117 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.616 -0.837 -4.473 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.388 0.618 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.575 -0.538 -2.719 1.00 0.00 H new ATOM 467 N ARG A 34 7.457 5.248 -0.898 1.00 0.00 N ATOM 468 CA ARG A 34 6.591 6.333 -0.429 1.00 0.00 C ATOM 469 C ARG A 34 6.183 7.256 -1.574 1.00 0.00 C ATOM 470 O ARG A 34 5.042 7.708 -1.639 1.00 0.00 O ATOM 471 CB ARG A 34 7.303 7.150 0.654 1.00 0.00 C ATOM 472 CG ARG A 34 7.443 6.435 1.990 1.00 0.00 C ATOM 473 CD ARG A 34 6.123 6.396 2.745 1.00 0.00 C ATOM 474 NE ARG A 34 5.676 7.730 3.150 1.00 0.00 N ATOM 475 CZ ARG A 34 4.924 7.976 4.228 1.00 0.00 C ATOM 476 NH1 ARG A 34 4.562 6.993 5.046 1.00 0.00 N ATOM 477 NH2 ARG A 34 4.546 9.216 4.497 1.00 0.00 N ATOM 0 H ARG A 34 8.354 5.197 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 34 5.691 5.879 -0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.296 7.420 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.756 8.080 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.798 5.418 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.195 6.940 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.361 5.935 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.231 5.767 3.629 1.00 0.00 H new ATOM 0 HE ARG A 34 5.956 8.523 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.858 6.036 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.988 7.196 5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.828 9.980 3.883 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.972 9.407 5.318 1.00 0.00 H new ATOM 491 N LEU A 35 7.116 7.513 -2.484 1.00 0.00 N ATOM 492 CA LEU A 35 6.887 8.438 -3.592 1.00 0.00 C ATOM 493 C LEU A 35 5.773 7.925 -4.490 1.00 0.00 C ATOM 494 O LEU A 35 4.763 8.598 -4.706 1.00 0.00 O ATOM 495 CB LEU A 35 8.164 8.588 -4.413 1.00 0.00 C ATOM 496 CG LEU A 35 9.450 8.545 -3.595 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.661 8.453 -4.509 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.558 9.764 -2.690 1.00 0.00 C ATOM 0 H LEU A 35 8.045 7.091 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 35 6.598 9.405 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.196 7.794 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.124 9.533 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 35 9.422 7.655 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.569 8.423 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.595 7.547 -5.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.689 9.323 -5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.483 9.711 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.559 10.669 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.709 9.786 -2.007 1.00 0.00 H new ATOM 510 N GLU A 36 5.967 6.715 -4.995 1.00 0.00 N ATOM 511 CA GLU A 36 4.998 6.090 -5.875 1.00 0.00 C ATOM 512 C GLU A 36 3.725 5.761 -5.103 1.00 0.00 C ATOM 513 O GLU A 36 2.643 5.671 -5.682 1.00 0.00 O ATOM 514 CB GLU A 36 5.591 4.830 -6.512 1.00 0.00 C ATOM 515 CG GLU A 36 6.847 5.097 -7.333 1.00 0.00 C ATOM 516 CD GLU A 36 7.281 3.903 -8.157 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.558 3.534 -9.104 1.00 0.00 O ATOM 518 OE2 GLU A 36 8.351 3.336 -7.871 1.00 0.00 O ATOM 0 H GLU A 36 6.793 6.146 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 36 4.745 6.787 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.826 4.112 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.839 4.368 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.668 5.943 -7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.658 5.383 -6.663 1.00 0.00 H new ATOM 525 N ALA A 37 3.859 5.611 -3.790 1.00 0.00 N ATOM 526 CA ALA A 37 2.708 5.347 -2.930 1.00 0.00 C ATOM 527 C ALA A 37 1.766 6.542 -2.916 1.00 0.00 C ATOM 528 O ALA A 37 0.568 6.404 -3.167 1.00 0.00 O ATOM 529 CB ALA A 37 3.150 5.010 -1.515 1.00 0.00 C ATOM 0 H ALA A 37 4.750 5.667 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 37 2.177 4.486 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.274 4.818 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.783 4.123 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.711 5.847 -1.100 1.00 0.00 H new ATOM 535 N GLU A 38 2.318 7.717 -2.636 1.00 0.00 N ATOM 536 CA GLU A 38 1.535 8.944 -2.601 1.00 0.00 C ATOM 537 C GLU A 38 1.013 9.287 -3.992 1.00 0.00 C ATOM 538 O GLU A 38 -0.069 9.859 -4.136 1.00 0.00 O ATOM 539 CB GLU A 38 2.370 10.099 -2.041 1.00 0.00 C ATOM 540 CG GLU A 38 2.730 9.930 -0.572 1.00 0.00 C ATOM 541 CD GLU A 38 3.540 11.090 -0.035 1.00 0.00 C ATOM 542 OE1 GLU A 38 2.984 12.198 0.098 1.00 0.00 O ATOM 543 OE2 GLU A 38 4.740 10.903 0.254 1.00 0.00 O ATOM 0 H GLU A 38 3.309 7.845 -2.429 1.00 0.00 H new ATOM 0 HA GLU A 38 0.681 8.787 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.287 10.190 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.818 11.031 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.816 9.828 0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.295 9.007 -0.444 1.00 0.00 H new ATOM 550 N ALA A 39 1.781 8.923 -5.015 1.00 0.00 N ATOM 551 CA ALA A 39 1.354 9.107 -6.396 1.00 0.00 C ATOM 552 C ALA A 39 0.062 8.341 -6.655 1.00 0.00 C ATOM 553 O ALA A 39 -0.883 8.877 -7.233 1.00 0.00 O ATOM 554 CB ALA A 39 2.446 8.661 -7.360 1.00 0.00 C ATOM 0 H ALA A 39 2.703 8.499 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 39 1.167 10.168 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.107 8.806 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.346 9.251 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.667 7.606 -7.197 1.00 0.00 H new ATOM 560 N VAL A 40 0.026 7.092 -6.201 1.00 0.00 N ATOM 561 CA VAL A 40 -1.165 6.257 -6.313 1.00 0.00 C ATOM 562 C VAL A 40 -2.324 6.859 -5.521 1.00 0.00 C ATOM 563 O VAL A 40 -3.442 6.974 -6.029 1.00 0.00 O ATOM 564 CB VAL A 40 -0.885 4.820 -5.813 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.170 4.017 -5.693 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.093 4.113 -6.740 1.00 0.00 C ATOM 0 H VAL A 40 0.816 6.633 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.439 6.214 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.439 4.894 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.939 3.012 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.840 4.506 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.654 3.957 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.278 3.104 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.329 4.062 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.032 4.666 -6.769 1.00 0.00 H new ATOM 576 N VAL A 41 -2.040 7.256 -4.283 1.00 0.00 N ATOM 577 CA VAL A 41 -3.045 7.853 -3.407 1.00 0.00 C ATOM 578 C VAL A 41 -3.737 9.037 -4.081 1.00 0.00 C ATOM 579 O VAL A 41 -4.963 9.130 -4.084 1.00 0.00 O ATOM 580 CB VAL A 41 -2.419 8.319 -2.068 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.419 9.108 -1.236 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.898 7.127 -1.275 1.00 0.00 C ATOM 0 H VAL A 41 -1.115 7.174 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.786 7.080 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.582 8.976 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.950 9.421 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.742 9.988 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.283 8.481 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.462 7.475 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.721 6.445 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.138 6.607 -1.857 1.00 0.00 H new ATOM 592 N ASN A 42 -2.951 9.921 -4.678 1.00 0.00 N ATOM 593 CA ASN A 42 -3.494 11.129 -5.287 1.00 0.00 C ATOM 594 C ASN A 42 -3.941 10.880 -6.726 1.00 0.00 C ATOM 595 O ASN A 42 -4.350 11.803 -7.429 1.00 0.00 O ATOM 596 CB ASN A 42 -2.458 12.257 -5.243 1.00 0.00 C ATOM 597 CG ASN A 42 -2.076 12.637 -3.827 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.872 12.512 -2.897 1.00 0.00 O ATOM 599 ND2 ASN A 42 -0.857 13.116 -3.654 1.00 0.00 N ATOM 0 H ASN A 42 -1.938 9.826 -4.754 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.371 11.425 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.565 11.948 -5.786 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.856 13.132 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.547 13.397 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.226 13.204 -4.450 1.00 0.00 H new ATOM 606 N ASP A 43 -3.868 9.631 -7.165 1.00 0.00 N ATOM 607 CA ASP A 43 -4.267 9.281 -8.523 1.00 0.00 C ATOM 608 C ASP A 43 -5.656 8.649 -8.541 1.00 0.00 C ATOM 609 O ASP A 43 -6.533 9.083 -9.288 1.00 0.00 O ATOM 610 CB ASP A 43 -3.253 8.332 -9.166 1.00 0.00 C ATOM 611 CG ASP A 43 -3.602 8.002 -10.605 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.352 8.844 -11.493 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.122 6.895 -10.858 1.00 0.00 O ATOM 0 H ASP A 43 -3.538 8.846 -6.604 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.297 10.203 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.262 8.785 -9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.204 7.410 -8.586 1.00 0.00 H new ATOM 618 N VAL A 44 -5.861 7.643 -7.699 1.00 0.00 N ATOM 619 CA VAL A 44 -7.121 6.904 -7.680 1.00 0.00 C ATOM 620 C VAL A 44 -7.982 7.298 -6.483 1.00 0.00 C ATOM 621 O VAL A 44 -8.932 6.598 -6.133 1.00 0.00 O ATOM 622 CB VAL A 44 -6.883 5.378 -7.655 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.199 4.927 -8.935 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.063 4.974 -6.439 1.00 0.00 C ATOM 0 H VAL A 44 -5.172 7.319 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.648 7.165 -8.598 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.852 4.884 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.038 3.849 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.828 5.174 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.239 5.434 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.910 3.895 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.097 5.478 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.594 5.260 -5.531 1.00 0.00 H new ATOM 634 N LEU A 45 -7.660 8.440 -5.886 1.00 0.00 N ATOM 635 CA LEU A 45 -8.362 8.931 -4.699 1.00 0.00 C ATOM 636 C LEU A 45 -9.880 8.985 -4.907 1.00 0.00 C ATOM 637 O LEU A 45 -10.647 8.679 -3.996 1.00 0.00 O ATOM 638 CB LEU A 45 -7.851 10.327 -4.334 1.00 0.00 C ATOM 639 CG LEU A 45 -8.446 10.929 -3.057 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.052 10.106 -1.839 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.995 12.371 -2.892 1.00 0.00 C ATOM 0 H LEU A 45 -6.909 9.051 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.160 8.231 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.767 10.282 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.059 11.001 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.532 10.912 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.485 10.551 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.422 9.087 -1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.966 10.089 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.426 12.785 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.907 12.407 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.328 12.957 -3.749 1.00 0.00 H new ATOM 653 N PHE A 46 -10.305 9.352 -6.114 1.00 0.00 N ATOM 654 CA PHE A 46 -11.727 9.537 -6.405 1.00 0.00 C ATOM 655 C PHE A 46 -12.463 8.202 -6.531 1.00 0.00 C ATOM 656 O PHE A 46 -13.693 8.162 -6.496 1.00 0.00 O ATOM 657 CB PHE A 46 -11.916 10.368 -7.683 1.00 0.00 C ATOM 658 CG PHE A 46 -11.285 9.774 -8.914 1.00 0.00 C ATOM 659 CD1 PHE A 46 -11.991 8.891 -9.718 1.00 0.00 C ATOM 660 CD2 PHE A 46 -9.988 10.107 -9.274 1.00 0.00 C ATOM 661 CE1 PHE A 46 -11.417 8.349 -10.851 1.00 0.00 C ATOM 662 CE2 PHE A 46 -9.410 9.571 -10.407 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.125 8.691 -11.197 1.00 0.00 C ATOM 0 H PHE A 46 -9.687 9.527 -6.906 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.160 10.076 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.983 10.496 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.499 11.362 -7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.004 8.624 -9.454 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.424 10.794 -8.661 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -11.977 7.659 -11.465 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.399 9.839 -10.676 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.674 8.271 -12.084 1.00 0.00 H new ATOM 673 N ALA A 47 -11.715 7.113 -6.667 1.00 0.00 N ATOM 674 CA ALA A 47 -12.314 5.791 -6.834 1.00 0.00 C ATOM 675 C ALA A 47 -12.829 5.260 -5.504 1.00 0.00 C ATOM 676 O ALA A 47 -13.745 4.439 -5.457 1.00 0.00 O ATOM 677 CB ALA A 47 -11.307 4.824 -7.445 1.00 0.00 C ATOM 0 H ALA A 47 -10.695 7.118 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.161 5.882 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.769 3.844 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.991 5.196 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.440 4.740 -6.790 1.00 0.00 H new ATOM 683 N VAL A 48 -12.245 5.754 -4.425 1.00 0.00 N ATOM 684 CA VAL A 48 -12.639 5.371 -3.078 1.00 0.00 C ATOM 685 C VAL A 48 -12.974 6.615 -2.265 1.00 0.00 C ATOM 686 O VAL A 48 -13.137 7.694 -2.828 1.00 0.00 O ATOM 687 CB VAL A 48 -11.529 4.564 -2.368 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.277 3.252 -3.094 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.244 5.374 -2.263 1.00 0.00 C ATOM 0 H VAL A 48 -11.484 6.432 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.519 4.733 -3.155 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.868 4.341 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.492 2.697 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.192 2.661 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.965 3.457 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.480 4.781 -1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.898 5.638 -3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.433 6.283 -1.692 1.00 0.00 H new ATOM 699 N ASN A 49 -13.109 6.467 -0.953 1.00 0.00 N ATOM 700 CA ASN A 49 -13.333 7.619 -0.090 1.00 0.00 C ATOM 701 C ASN A 49 -12.034 8.375 0.116 1.00 0.00 C ATOM 702 O ASN A 49 -11.949 9.571 -0.169 1.00 0.00 O ATOM 703 CB ASN A 49 -13.915 7.212 1.268 1.00 0.00 C ATOM 704 CG ASN A 49 -15.412 6.981 1.223 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.110 7.511 0.357 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.920 6.206 2.169 1.00 0.00 N ATOM 0 H ASN A 49 -13.068 5.571 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.060 8.263 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.422 6.302 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.694 7.989 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.924 6.029 2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.307 5.786 2.868 1.00 0.00 H new ATOM 713 N ASN A 50 -11.022 7.668 0.598 1.00 0.00 N ATOM 714 CA ASN A 50 -9.711 8.260 0.824 1.00 0.00 C ATOM 715 C ASN A 50 -8.667 7.171 1.024 1.00 0.00 C ATOM 716 O ASN A 50 -8.996 6.030 1.353 1.00 0.00 O ATOM 717 CB ASN A 50 -9.729 9.197 2.040 1.00 0.00 C ATOM 718 CG ASN A 50 -9.910 8.463 3.357 1.00 0.00 C ATOM 719 OD1 ASN A 50 -11.032 8.200 3.785 1.00 0.00 O ATOM 720 ND2 ASN A 50 -8.806 8.150 4.024 1.00 0.00 N ATOM 0 H ASN A 50 -11.084 6.679 0.841 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.452 8.847 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.796 9.760 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.535 9.921 1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.871 7.675 4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.892 8.385 3.636 1.00 0.00 H new ATOM 727 N MET A 51 -7.414 7.527 0.804 1.00 0.00 N ATOM 728 CA MET A 51 -6.302 6.623 1.035 1.00 0.00 C ATOM 729 C MET A 51 -5.252 7.332 1.872 1.00 0.00 C ATOM 730 O MET A 51 -5.015 8.526 1.697 1.00 0.00 O ATOM 731 CB MET A 51 -5.690 6.156 -0.290 1.00 0.00 C ATOM 732 CG MET A 51 -6.673 5.440 -1.202 1.00 0.00 C ATOM 733 SD MET A 51 -5.932 4.916 -2.761 1.00 0.00 S ATOM 734 CE MET A 51 -4.698 3.757 -2.180 1.00 0.00 C ATOM 0 H MET A 51 -7.139 8.448 0.461 1.00 0.00 H new ATOM 0 HA MET A 51 -6.666 5.743 1.565 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.284 7.020 -0.816 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.854 5.490 -0.078 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.072 4.568 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 51 -7.515 6.100 -1.410 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.704 4.179 -2.329 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.854 3.561 -1.119 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.784 2.824 -2.738 1.00 0.00 H new ATOM 744 N PHE A 52 -4.643 6.609 2.794 1.00 0.00 N ATOM 745 CA PHE A 52 -3.637 7.186 3.671 1.00 0.00 C ATOM 746 C PHE A 52 -2.524 6.184 3.935 1.00 0.00 C ATOM 747 O PHE A 52 -2.789 5.038 4.277 1.00 0.00 O ATOM 748 CB PHE A 52 -4.281 7.626 4.991 1.00 0.00 C ATOM 749 CG PHE A 52 -3.303 8.154 6.002 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.591 9.317 5.755 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.104 7.491 7.204 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.692 9.805 6.684 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.208 7.975 8.137 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.503 9.137 7.878 1.00 0.00 C ATOM 0 H PHE A 52 -4.827 5.619 2.956 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.206 8.059 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.023 8.396 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.813 6.779 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.740 9.848 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.656 6.586 7.413 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.137 10.708 6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.058 7.447 9.067 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.806 9.521 8.608 1.00 0.00 H new ATOM 764 N VAL A 53 -1.285 6.616 3.756 1.00 0.00 N ATOM 765 CA VAL A 53 -0.137 5.763 4.024 1.00 0.00 C ATOM 766 C VAL A 53 0.009 5.517 5.523 1.00 0.00 C ATOM 767 O VAL A 53 -0.072 6.447 6.326 1.00 0.00 O ATOM 768 CB VAL A 53 1.167 6.363 3.450 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.186 6.241 1.934 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.322 7.821 3.862 1.00 0.00 C ATOM 0 H VAL A 53 -1.049 7.552 3.426 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.313 4.811 3.524 1.00 0.00 H new ATOM 0 HB VAL A 53 2.006 5.800 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.111 6.668 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.126 5.190 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.335 6.778 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.247 8.220 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.476 8.397 3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.354 7.890 4.949 1.00 0.00 H new ATOM 780 N SER A 54 0.213 4.260 5.886 1.00 0.00 N ATOM 781 CA SER A 54 0.237 3.849 7.280 1.00 0.00 C ATOM 782 C SER A 54 1.385 4.501 8.045 1.00 0.00 C ATOM 783 O SER A 54 2.485 4.677 7.518 1.00 0.00 O ATOM 784 CB SER A 54 0.346 2.332 7.367 1.00 0.00 C ATOM 785 OG SER A 54 -0.711 1.705 6.661 1.00 0.00 O ATOM 0 H SER A 54 0.366 3.499 5.224 1.00 0.00 H new ATOM 0 HA SER A 54 -0.694 4.178 7.742 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.303 2.009 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.325 2.022 8.412 1.00 0.00 H new ATOM 0 HG SER A 54 -1.486 2.305 6.632 1.00 0.00 H new ATOM 791 N LYS A 55 1.117 4.847 9.292 1.00 0.00 N ATOM 792 CA LYS A 55 2.096 5.517 10.127 1.00 0.00 C ATOM 793 C LYS A 55 2.334 4.723 11.413 1.00 0.00 C ATOM 794 O LYS A 55 3.059 5.162 12.305 1.00 0.00 O ATOM 795 CB LYS A 55 1.598 6.932 10.448 1.00 0.00 C ATOM 796 CG LYS A 55 2.644 7.845 11.072 1.00 0.00 C ATOM 797 CD LYS A 55 2.066 9.217 11.367 1.00 0.00 C ATOM 798 CE LYS A 55 3.107 10.152 11.965 1.00 0.00 C ATOM 799 NZ LYS A 55 4.250 10.384 11.042 1.00 0.00 N ATOM 0 H LYS A 55 0.223 4.673 9.750 1.00 0.00 H new ATOM 0 HA LYS A 55 3.045 5.583 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.234 7.392 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.748 6.859 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.018 7.399 11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.495 7.943 10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.673 9.651 10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.228 9.118 12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.639 11.106 12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.477 9.731 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.818 11.184 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.843 9.531 11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.890 10.600 10.091 1.00 0.00 H new ATOM 813 N SER A 56 1.739 3.536 11.502 1.00 0.00 N ATOM 814 CA SER A 56 1.852 2.736 12.716 1.00 0.00 C ATOM 815 C SER A 56 2.721 1.505 12.490 1.00 0.00 C ATOM 816 O SER A 56 2.932 0.711 13.406 1.00 0.00 O ATOM 817 CB SER A 56 0.468 2.294 13.190 1.00 0.00 C ATOM 818 OG SER A 56 -0.434 3.382 13.234 1.00 0.00 O ATOM 0 H SER A 56 1.182 3.113 10.760 1.00 0.00 H new ATOM 0 HA SER A 56 2.321 3.359 13.478 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.081 1.525 12.521 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.547 1.845 14.180 1.00 0.00 H new ATOM 0 HG SER A 56 -1.145 3.245 12.573 1.00 0.00 H new ATOM 824 N LEU A 57 3.227 1.348 11.276 1.00 0.00 N ATOM 825 CA LEU A 57 3.967 0.144 10.928 1.00 0.00 C ATOM 826 C LEU A 57 5.387 0.475 10.486 1.00 0.00 C ATOM 827 O LEU A 57 6.286 0.597 11.316 1.00 0.00 O ATOM 828 CB LEU A 57 3.253 -0.653 9.831 1.00 0.00 C ATOM 829 CG LEU A 57 1.821 -1.089 10.148 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.822 -0.002 9.792 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.488 -2.362 9.405 1.00 0.00 C ATOM 0 H LEU A 57 3.141 2.030 10.523 1.00 0.00 H new ATOM 0 HA LEU A 57 4.017 -0.471 11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.236 -0.050 8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.843 -1.543 9.612 1.00 0.00 H new ATOM 0 HG LEU A 57 1.755 -1.271 11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.186 -0.342 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.045 0.899 10.364 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.889 0.219 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.467 -2.663 9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.580 -2.192 8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.177 -3.151 9.708 1.00 0.00 H new ATOM 843 N ARG A 58 5.573 0.631 9.181 1.00 0.00 N ATOM 844 CA ARG A 58 6.886 0.906 8.616 1.00 0.00 C ATOM 845 C ARG A 58 6.742 1.292 7.154 1.00 0.00 C ATOM 846 O ARG A 58 5.727 0.980 6.526 1.00 0.00 O ATOM 847 CB ARG A 58 7.793 -0.330 8.706 1.00 0.00 C ATOM 848 CG ARG A 58 7.470 -1.393 7.664 1.00 0.00 C ATOM 849 CD ARG A 58 8.405 -2.585 7.757 1.00 0.00 C ATOM 850 NE ARG A 58 8.230 -3.317 9.006 1.00 0.00 N ATOM 851 CZ ARG A 58 8.114 -4.638 9.088 1.00 0.00 C ATOM 852 NH1 ARG A 58 8.149 -5.389 7.992 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.951 -5.205 10.272 1.00 0.00 N ATOM 0 H ARG A 58 4.824 0.571 8.491 1.00 0.00 H new ATOM 0 HA ARG A 58 7.334 1.721 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.831 -0.019 8.588 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.702 -0.767 9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.441 -1.728 7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.538 -0.956 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.225 -3.254 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.437 -2.244 7.678 1.00 0.00 H new ATOM 0 HE ARG A 58 8.194 -2.780 9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.266 -4.952 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.059 -6.402 8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.915 -4.629 11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.861 -6.218 10.344 1.00 0.00 H new ATOM 867 N CYS A 59 7.758 1.965 6.628 1.00 0.00 N ATOM 868 CA CYS A 59 7.856 2.254 5.203 1.00 0.00 C ATOM 869 C CYS A 59 9.077 3.100 4.920 1.00 0.00 C ATOM 870 O CYS A 59 9.572 3.804 5.801 1.00 0.00 O ATOM 871 CB CYS A 59 6.625 2.980 4.672 1.00 0.00 C ATOM 872 SG CYS A 59 6.173 4.463 5.605 1.00 0.00 S ATOM 0 H CYS A 59 8.538 2.326 7.178 1.00 0.00 H new ATOM 0 HA CYS A 59 7.933 1.293 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.802 3.259 3.633 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.781 2.291 4.677 1.00 0.00 H new ATOM 0 HG CYS A 59 7.235 4.968 6.158 1.00 0.00 H new ATOM 878 N ALA A 60 9.551 3.017 3.686 1.00 0.00 N ATOM 879 CA ALA A 60 10.652 3.847 3.222 1.00 0.00 C ATOM 880 C ALA A 60 10.853 3.669 1.726 1.00 0.00 C ATOM 881 O ALA A 60 10.347 4.450 0.919 1.00 0.00 O ATOM 882 CB ALA A 60 11.940 3.514 3.969 1.00 0.00 C ATOM 0 H ALA A 60 9.186 2.376 2.982 1.00 0.00 H new ATOM 0 HA ALA A 60 10.400 4.888 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.747 4.148 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.797 3.687 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.197 2.468 3.803 1.00 0.00 H new ATOM 888 N ASP A 61 11.526 2.591 1.371 1.00 0.00 N ATOM 889 CA ASP A 61 11.974 2.378 -0.001 1.00 0.00 C ATOM 890 C ASP A 61 11.419 1.075 -0.580 1.00 0.00 C ATOM 891 O ASP A 61 10.812 1.082 -1.645 1.00 0.00 O ATOM 892 CB ASP A 61 13.512 2.404 -0.077 1.00 0.00 C ATOM 893 CG ASP A 61 14.190 1.330 0.759 1.00 0.00 C ATOM 894 OD1 ASP A 61 13.676 1.003 1.855 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.237 0.808 0.321 1.00 0.00 O ATOM 0 H ASP A 61 11.778 1.842 2.015 1.00 0.00 H new ATOM 0 HA ASP A 61 11.584 3.195 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.816 2.287 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.865 3.382 0.250 1.00 0.00 H new ATOM 900 N ASP A 62 11.614 -0.033 0.123 1.00 0.00 N ATOM 901 CA ASP A 62 11.101 -1.325 -0.335 1.00 0.00 C ATOM 902 C ASP A 62 9.648 -1.512 0.065 1.00 0.00 C ATOM 903 O ASP A 62 8.833 -2.000 -0.712 1.00 0.00 O ATOM 904 CB ASP A 62 11.919 -2.485 0.242 1.00 0.00 C ATOM 905 CG ASP A 62 13.313 -2.579 -0.332 1.00 0.00 C ATOM 906 OD1 ASP A 62 13.449 -2.921 -1.526 1.00 0.00 O ATOM 907 OD2 ASP A 62 14.281 -2.332 0.415 1.00 0.00 O ATOM 0 H ASP A 62 12.120 -0.067 1.008 1.00 0.00 H new ATOM 0 HA ASP A 62 11.184 -1.328 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.986 -2.370 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.392 -3.421 0.053 1.00 0.00 H new ATOM 912 N VAL A 63 9.335 -1.110 1.283 1.00 0.00 N ATOM 913 CA VAL A 63 8.033 -1.376 1.874 1.00 0.00 C ATOM 914 C VAL A 63 7.224 -0.092 2.053 1.00 0.00 C ATOM 915 O VAL A 63 7.776 0.959 2.405 1.00 0.00 O ATOM 916 CB VAL A 63 8.204 -2.088 3.239 1.00 0.00 C ATOM 917 CG1 VAL A 63 9.153 -1.310 4.137 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.867 -2.279 3.933 1.00 0.00 C ATOM 0 H VAL A 63 9.971 -0.592 1.889 1.00 0.00 H new ATOM 0 HA VAL A 63 7.484 -2.025 1.192 1.00 0.00 H new ATOM 0 HB VAL A 63 8.631 -3.072 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.259 -1.828 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.128 -1.233 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.754 -0.311 4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.021 -2.781 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.404 -1.307 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.215 -2.886 3.305 1.00 0.00 H new ATOM 928 N ALA A 64 5.929 -0.173 1.777 1.00 0.00 N ATOM 929 CA ALA A 64 5.015 0.929 2.042 1.00 0.00 C ATOM 930 C ALA A 64 3.600 0.419 2.283 1.00 0.00 C ATOM 931 O ALA A 64 2.945 -0.070 1.367 1.00 0.00 O ATOM 932 CB ALA A 64 5.026 1.930 0.895 1.00 0.00 C ATOM 0 H ALA A 64 5.486 -0.996 1.367 1.00 0.00 H new ATOM 0 HA ALA A 64 5.357 1.434 2.946 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.336 2.744 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.032 2.331 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.718 1.433 -0.025 1.00 0.00 H new ATOM 938 N TYR A 65 3.128 0.537 3.516 1.00 0.00 N ATOM 939 CA TYR A 65 1.768 0.142 3.842 1.00 0.00 C ATOM 940 C TYR A 65 0.813 1.294 3.563 1.00 0.00 C ATOM 941 O TYR A 65 1.065 2.430 3.967 1.00 0.00 O ATOM 942 CB TYR A 65 1.659 -0.271 5.310 1.00 0.00 C ATOM 943 CG TYR A 65 2.347 -1.574 5.631 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.752 -2.787 5.313 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.588 -1.592 6.251 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.375 -3.983 5.606 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.219 -2.785 6.546 1.00 0.00 C ATOM 948 CZ TYR A 65 3.607 -3.978 6.222 1.00 0.00 C ATOM 949 OH TYR A 65 4.231 -5.171 6.510 1.00 0.00 O ATOM 0 H TYR A 65 3.665 0.902 4.303 1.00 0.00 H new ATOM 0 HA TYR A 65 1.501 -0.712 3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.086 0.516 5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.605 -0.352 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.787 -2.795 4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.068 -0.659 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.899 -4.919 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.186 -2.784 7.027 1.00 0.00 H new ATOM 0 HH TYR A 65 4.623 -5.541 5.692 1.00 0.00 H new ATOM 959 N ILE A 66 -0.267 1.008 2.854 1.00 0.00 N ATOM 960 CA ILE A 66 -1.264 2.024 2.543 1.00 0.00 C ATOM 961 C ILE A 66 -2.651 1.557 2.960 1.00 0.00 C ATOM 962 O ILE A 66 -3.049 0.435 2.663 1.00 0.00 O ATOM 963 CB ILE A 66 -1.288 2.364 1.036 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.105 2.765 0.550 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.289 3.479 0.752 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.151 3.102 -0.924 1.00 0.00 C ATOM 0 H ILE A 66 -0.477 0.082 2.482 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.987 2.919 3.100 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.600 1.472 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.448 3.626 1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.801 1.950 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.291 3.704 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.286 3.160 1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.007 4.372 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.168 3.378 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.162 2.235 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.520 3.937 -1.128 1.00 0.00 H new ATOM 978 N ASN A 67 -3.378 2.419 3.647 1.00 0.00 N ATOM 979 CA ASN A 67 -4.742 2.118 4.049 1.00 0.00 C ATOM 980 C ASN A 67 -5.712 2.749 3.064 1.00 0.00 C ATOM 981 O ASN A 67 -5.711 3.967 2.876 1.00 0.00 O ATOM 982 CB ASN A 67 -5.037 2.642 5.461 1.00 0.00 C ATOM 983 CG ASN A 67 -3.982 2.249 6.477 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.081 3.028 6.784 1.00 0.00 O ATOM 985 ND2 ASN A 67 -4.073 1.038 7.000 1.00 0.00 N ATOM 0 H ASN A 67 -3.046 3.338 3.940 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.863 1.035 4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.115 3.729 5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.005 2.263 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.382 0.724 7.681 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.834 0.418 6.722 1.00 0.00 H new ATOM 992 N VAL A 68 -6.526 1.926 2.427 1.00 0.00 N ATOM 993 CA VAL A 68 -7.497 2.412 1.458 1.00 0.00 C ATOM 994 C VAL A 68 -8.917 2.222 1.981 1.00 0.00 C ATOM 995 O VAL A 68 -9.314 1.114 2.350 1.00 0.00 O ATOM 996 CB VAL A 68 -7.335 1.715 0.079 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.358 0.198 0.217 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.410 2.180 -0.895 1.00 0.00 C ATOM 0 H VAL A 68 -6.535 0.915 2.563 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.310 3.476 1.316 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.362 2.000 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.242 -0.259 -0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.541 -0.121 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.308 -0.113 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.275 1.678 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.394 1.938 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.331 3.258 -1.036 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.662 3.315 2.041 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.050 3.273 2.475 1.00 0.00 C ATOM 1010 C GLU A 69 -11.972 3.468 1.277 1.00 0.00 C ATOM 1011 O GLU A 69 -11.968 4.524 0.642 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.314 4.343 3.541 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.758 4.390 4.016 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.235 3.063 4.573 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.556 2.164 3.773 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.304 2.925 5.812 1.00 0.00 O ATOM 0 H GLU A 69 -9.327 4.246 1.793 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.252 2.298 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.665 4.158 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.041 5.319 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.859 5.158 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.400 4.682 3.185 1.00 0.00 H new ATOM 1023 N THR A 70 -12.749 2.442 0.966 1.00 0.00 N ATOM 1024 CA THR A 70 -13.636 2.478 -0.185 1.00 0.00 C ATOM 1025 C THR A 70 -14.907 3.253 0.140 1.00 0.00 C ATOM 1026 O THR A 70 -15.175 3.575 1.300 1.00 0.00 O ATOM 1027 CB THR A 70 -14.016 1.059 -0.650 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.714 0.370 0.394 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.776 0.269 -1.041 1.00 0.00 C ATOM 0 H THR A 70 -12.783 1.572 1.497 1.00 0.00 H new ATOM 0 HA THR A 70 -13.097 2.978 -0.990 1.00 0.00 H new ATOM 0 HB THR A 70 -14.664 1.148 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.067 -0.026 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.068 -0.730 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.261 0.779 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.109 0.190 -0.183 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.700 3.529 -0.887 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.932 4.290 -0.719 1.00 0.00 C ATOM 1039 C LYS A 71 -17.944 3.510 0.121 1.00 0.00 C ATOM 1040 O LYS A 71 -18.878 4.087 0.675 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.532 4.629 -2.084 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.574 5.380 -3.000 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.209 5.695 -4.348 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.222 6.376 -5.284 1.00 0.00 C ATOM 1045 NZ LYS A 71 -15.769 7.697 -4.766 1.00 0.00 N ATOM 0 H LYS A 71 -15.512 3.237 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.693 5.216 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.843 3.707 -2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.429 5.231 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.264 6.308 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.675 4.784 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.570 4.774 -4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.076 6.339 -4.201 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.357 5.729 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.686 6.511 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.165 8.160 -5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.597 8.296 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.228 7.559 -3.888 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.727 2.207 0.234 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.636 1.327 0.956 1.00 0.00 C ATOM 1061 C GLU A 72 -18.258 1.248 2.438 1.00 0.00 C ATOM 1062 O GLU A 72 -18.974 0.646 3.238 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.588 -0.069 0.332 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.617 -1.037 0.891 1.00 0.00 C ATOM 1065 CD GLU A 72 -19.404 -2.450 0.398 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -19.968 -2.807 -0.654 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -18.670 -3.211 1.063 1.00 0.00 O ATOM 0 H GLU A 72 -16.920 1.732 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.646 1.730 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.737 0.021 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.593 -0.488 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.571 -1.024 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.616 -0.704 0.610 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.127 1.867 2.784 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.566 1.814 4.140 1.00 0.00 C ATOM 1076 C ARG A 73 -15.968 0.435 4.401 1.00 0.00 C ATOM 1077 O ARG A 73 -15.828 -0.008 5.544 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.611 2.164 5.207 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.087 3.108 6.276 1.00 0.00 C ATOM 1080 CD ARG A 73 -16.810 4.492 5.707 1.00 0.00 C ATOM 1081 NE ARG A 73 -18.035 5.279 5.527 1.00 0.00 N ATOM 1082 CZ ARG A 73 -18.693 5.404 4.372 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -18.290 4.735 3.297 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -19.760 6.189 4.295 1.00 0.00 N ATOM 0 H ARG A 73 -16.572 2.421 2.132 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.778 2.565 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.476 2.618 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.957 1.246 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.814 3.184 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.173 2.700 6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.133 5.027 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.301 4.392 4.748 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.410 5.765 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.476 4.123 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.795 4.833 2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.079 6.698 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.261 6.283 3.412 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.619 -0.235 3.316 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.919 -1.501 3.386 1.00 0.00 C ATOM 1100 C ASN A 74 -13.451 -1.251 3.081 1.00 0.00 C ATOM 1101 O ASN A 74 -13.081 -1.014 1.931 1.00 0.00 O ATOM 1102 CB ASN A 74 -15.522 -2.490 2.387 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.862 -3.852 2.439 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -14.371 -4.282 3.483 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.865 -4.550 1.318 1.00 0.00 N ATOM 0 H ASN A 74 -15.813 0.084 2.367 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.016 -1.934 4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.587 -2.600 2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.429 -2.084 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.450 -5.482 1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.282 -4.158 0.474 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.618 -1.291 4.105 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.254 -0.812 3.978 1.00 0.00 C ATOM 1114 C ARG A 75 -10.265 -1.961 3.985 1.00 0.00 C ATOM 1115 O ARG A 75 -10.508 -3.005 4.592 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.909 0.190 5.093 1.00 0.00 C ATOM 1117 CG ARG A 75 -10.972 -0.378 6.505 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.403 -0.534 6.992 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.463 -1.132 8.322 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.408 -1.984 8.714 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.409 -2.298 7.900 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.365 -2.503 9.934 1.00 0.00 N ATOM 0 H ARG A 75 -12.860 -1.648 5.029 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.180 -0.299 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.905 0.577 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.593 1.036 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.473 -1.347 6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.427 0.278 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.889 0.442 7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.960 -1.154 6.290 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.736 -0.882 8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.457 -1.886 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.130 -2.951 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.609 -2.249 10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.088 -3.156 10.236 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.151 -1.758 3.305 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.119 -2.773 3.203 1.00 0.00 C ATOM 1138 C TYR A 76 -6.749 -2.159 3.457 1.00 0.00 C ATOM 1139 O TYR A 76 -6.527 -0.977 3.183 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.139 -3.427 1.816 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.386 -4.236 1.525 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.514 -3.639 0.982 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -9.427 -5.601 1.785 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.652 -4.378 0.710 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -10.560 -6.346 1.518 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.668 -5.733 0.980 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.797 -6.480 0.706 1.00 0.00 O ATOM 0 H TYR A 76 -8.937 -0.891 2.811 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.317 -3.536 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.040 -2.649 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.269 -4.076 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.504 -2.580 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.558 -6.088 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.523 -3.898 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.576 -7.405 1.731 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.639 -7.415 0.955 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.844 -2.956 4.002 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.459 -2.541 4.162 1.00 0.00 C ATOM 1159 C CYS A 77 -3.615 -3.155 3.063 1.00 0.00 C ATOM 1160 O CYS A 77 -3.584 -4.375 2.902 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.914 -2.945 5.533 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.592 -1.979 6.896 1.00 0.00 S ATOM 0 H CYS A 77 -6.044 -3.897 4.342 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.415 -1.454 4.092 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.130 -4.000 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.829 -2.839 5.529 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.784 -2.411 7.184 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.945 -2.315 2.300 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.164 -2.779 1.173 1.00 0.00 C ATOM 1170 C LEU A 78 -0.676 -2.690 1.467 1.00 0.00 C ATOM 1171 O LEU A 78 -0.184 -1.659 1.928 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.495 -1.956 -0.074 1.00 0.00 C ATOM 1173 CG LEU A 78 -3.966 -1.967 -0.497 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.182 -1.043 -1.684 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.417 -3.379 -0.837 1.00 0.00 C ATOM 0 H LEU A 78 -2.926 -1.305 2.441 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.419 -3.824 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.193 -0.924 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.893 -2.327 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.566 -1.607 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.233 -1.062 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.899 -0.027 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.569 -1.377 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.465 -3.364 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.812 -3.767 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.297 -4.020 0.037 1.00 0.00 H new ATOM 1187 N GLU A 79 0.026 -3.777 1.200 1.00 0.00 N ATOM 1188 CA GLU A 79 1.476 -3.804 1.277 1.00 0.00 C ATOM 1189 C GLU A 79 2.042 -3.504 -0.104 1.00 0.00 C ATOM 1190 O GLU A 79 1.941 -4.327 -1.020 1.00 0.00 O ATOM 1191 CB GLU A 79 1.954 -5.180 1.767 1.00 0.00 C ATOM 1192 CG GLU A 79 3.459 -5.395 1.679 1.00 0.00 C ATOM 1193 CD GLU A 79 4.241 -4.547 2.659 1.00 0.00 C ATOM 1194 OE1 GLU A 79 4.260 -3.311 2.501 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.847 -5.124 3.593 1.00 0.00 O ATOM 0 H GLU A 79 -0.393 -4.665 0.924 1.00 0.00 H new ATOM 0 HA GLU A 79 1.825 -3.053 1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.641 -5.311 2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.455 -5.953 1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.680 -6.447 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.793 -5.170 0.666 1.00 0.00 H new ATOM 1202 N LEU A 80 2.593 -2.314 -0.263 1.00 0.00 N ATOM 1203 CA LEU A 80 3.140 -1.899 -1.540 1.00 0.00 C ATOM 1204 C LEU A 80 4.622 -2.229 -1.600 1.00 0.00 C ATOM 1205 O LEU A 80 5.436 -1.655 -0.870 1.00 0.00 O ATOM 1206 CB LEU A 80 2.909 -0.403 -1.773 1.00 0.00 C ATOM 1207 CG LEU A 80 3.364 0.123 -3.136 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.638 -0.601 -4.259 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.131 1.621 -3.226 1.00 0.00 C ATOM 0 H LEU A 80 2.673 -1.618 0.478 1.00 0.00 H new ATOM 0 HA LEU A 80 2.626 -2.443 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.846 -0.194 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.430 0.154 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 80 4.432 -0.069 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.975 -0.213 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.853 -1.668 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.564 -0.442 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.459 1.982 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.069 1.832 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.697 2.125 -2.443 1.00 0.00 H new ATOM 1221 N THR A 81 4.954 -3.181 -2.459 1.00 0.00 N ATOM 1222 CA THR A 81 6.321 -3.644 -2.620 1.00 0.00 C ATOM 1223 C THR A 81 6.614 -3.896 -4.097 1.00 0.00 C ATOM 1224 O THR A 81 5.840 -3.483 -4.965 1.00 0.00 O ATOM 1225 CB THR A 81 6.554 -4.944 -1.825 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.508 -5.883 -2.115 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.603 -4.675 -0.329 1.00 0.00 C ATOM 0 H THR A 81 4.282 -3.653 -3.064 1.00 0.00 H new ATOM 0 HA THR A 81 6.990 -2.873 -2.239 1.00 0.00 H new ATOM 0 HB THR A 81 7.516 -5.359 -2.127 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.660 -6.709 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.768 -5.611 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.417 -3.984 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.658 -4.236 -0.007 1.00 0.00 H new ATOM 1235 N GLU A 82 7.712 -4.584 -4.388 1.00 0.00 N ATOM 1236 CA GLU A 82 8.059 -4.910 -5.766 1.00 0.00 C ATOM 1237 C GLU A 82 7.191 -6.053 -6.283 1.00 0.00 C ATOM 1238 O GLU A 82 7.200 -6.368 -7.475 1.00 0.00 O ATOM 1239 CB GLU A 82 9.536 -5.278 -5.880 1.00 0.00 C ATOM 1240 CG GLU A 82 10.475 -4.155 -5.475 1.00 0.00 C ATOM 1241 CD GLU A 82 11.929 -4.522 -5.656 1.00 0.00 C ATOM 1242 OE1 GLU A 82 12.483 -5.226 -4.785 1.00 0.00 O ATOM 1243 OE2 GLU A 82 12.528 -4.110 -6.669 1.00 0.00 O ATOM 0 H GLU A 82 8.375 -4.926 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 82 7.874 -4.027 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.734 -6.149 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.751 -5.568 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.251 -3.268 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.297 -3.895 -4.432 1.00 0.00 H new ATOM 1250 N ALA A 83 6.448 -6.674 -5.376 1.00 0.00 N ATOM 1251 CA ALA A 83 5.517 -7.727 -5.746 1.00 0.00 C ATOM 1252 C ALA A 83 4.168 -7.130 -6.126 1.00 0.00 C ATOM 1253 O ALA A 83 3.258 -7.837 -6.553 1.00 0.00 O ATOM 1254 CB ALA A 83 5.362 -8.723 -4.605 1.00 0.00 C ATOM 0 H ALA A 83 6.474 -6.465 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 83 5.915 -8.257 -6.611 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.662 -9.505 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.330 -9.169 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.983 -8.209 -3.722 1.00 0.00 H new ATOM 1260 N GLY A 84 4.053 -5.819 -5.973 1.00 0.00 N ATOM 1261 CA GLY A 84 2.825 -5.140 -6.310 1.00 0.00 C ATOM 1262 C GLY A 84 2.056 -4.731 -5.075 1.00 0.00 C ATOM 1263 O GLY A 84 2.654 -4.414 -4.044 1.00 0.00 O ATOM 0 H GLY A 84 4.794 -5.213 -5.620 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.050 -4.257 -6.908 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.205 -5.792 -6.925 1.00 0.00 H new ATOM 1267 N LEU A 85 0.737 -4.744 -5.175 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.119 -4.391 -4.053 1.00 0.00 C ATOM 1269 C LEU A 85 -0.700 -5.653 -3.428 1.00 0.00 C ATOM 1270 O LEU A 85 -1.533 -6.335 -4.033 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.248 -3.443 -4.485 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.800 -2.064 -4.987 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.326 -2.129 -6.432 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.921 -1.047 -4.842 1.00 0.00 C ATOM 0 H LEU A 85 0.233 -4.996 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 85 0.488 -3.869 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.823 -3.928 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.922 -3.301 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 85 0.040 -1.745 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.015 -1.136 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.517 -2.816 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.139 -2.481 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.581 -0.077 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.783 -1.370 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.204 -0.964 -3.793 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.244 -5.964 -2.225 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.628 -7.192 -1.543 1.00 0.00 C ATOM 1288 C LYS A 86 -1.456 -6.864 -0.301 1.00 0.00 C ATOM 1289 O LYS A 86 -0.938 -6.316 0.667 1.00 0.00 O ATOM 1290 CB LYS A 86 0.649 -7.966 -1.176 1.00 0.00 C ATOM 1291 CG LYS A 86 0.444 -9.408 -0.725 1.00 0.00 C ATOM 1292 CD LYS A 86 0.124 -9.507 0.756 1.00 0.00 C ATOM 1293 CE LYS A 86 0.294 -10.929 1.268 1.00 0.00 C ATOM 1294 NZ LYS A 86 -0.648 -11.878 0.616 1.00 0.00 N ATOM 0 H LYS A 86 0.400 -5.376 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.245 -7.811 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.312 -7.966 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.163 -7.426 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.367 -9.855 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.343 -9.985 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.776 -8.837 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.900 -9.176 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.318 -11.257 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.136 -10.946 2.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.629 -12.787 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.611 -11.486 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.364 -12.025 -0.374 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.745 -7.182 -0.340 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.634 -6.904 0.786 1.00 0.00 C ATOM 1310 C VAL A 87 -3.257 -7.754 2.004 1.00 0.00 C ATOM 1311 O VAL A 87 -3.126 -8.975 1.913 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.120 -7.126 0.414 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -5.353 -8.528 -0.131 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -6.018 -6.858 1.612 1.00 0.00 C ATOM 0 H VAL A 87 -3.198 -7.631 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.509 -5.852 1.042 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.375 -6.418 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.407 -8.650 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.747 -8.676 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.072 -9.263 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.058 -7.019 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.753 -7.535 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.887 -5.827 1.941 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.073 -7.095 3.140 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.628 -7.763 4.357 1.00 0.00 C ATOM 1326 C VAL A 88 -3.610 -7.571 5.510 1.00 0.00 C ATOM 1327 O VAL A 88 -3.352 -8.016 6.628 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.236 -7.251 4.793 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.153 -7.812 3.890 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.195 -5.729 4.781 1.00 0.00 C ATOM 0 H VAL A 88 -3.226 -6.092 3.245 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.572 -8.826 4.122 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.052 -7.595 5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.819 -7.440 4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.161 -8.901 3.945 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.338 -7.499 2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.207 -5.389 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.404 -5.367 3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.945 -5.339 5.469 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.736 -6.922 5.246 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.714 -6.710 6.298 1.00 0.00 C ATOM 1342 C GLY A 89 -7.009 -6.113 5.797 1.00 0.00 C ATOM 1343 O GLY A 89 -7.045 -5.491 4.738 1.00 0.00 O ATOM 0 H GLY A 89 -4.989 -6.542 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.925 -7.662 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.287 -6.052 7.055 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.072 -6.298 6.577 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.402 -5.814 6.212 1.00 0.00 C ATOM 1349 C TYR A 90 -9.860 -4.736 7.191 1.00 0.00 C ATOM 1350 O TYR A 90 -11.047 -4.430 7.294 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.408 -6.971 6.218 1.00 0.00 C ATOM 1352 CG TYR A 90 -9.928 -8.207 5.483 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -9.205 -9.195 6.144 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -10.188 -8.382 4.130 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -8.760 -10.318 5.477 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -9.745 -9.504 3.457 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.030 -10.468 4.135 1.00 0.00 C ATOM 1358 OH TYR A 90 -8.582 -11.583 3.470 1.00 0.00 O ATOM 0 H TYR A 90 -8.037 -6.784 7.473 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.350 -5.389 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.633 -7.239 7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.340 -6.631 5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.989 -9.081 7.196 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -10.746 -7.628 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.202 -11.077 6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.958 -9.625 2.405 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.857 -11.536 2.531 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.904 -4.174 7.913 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.177 -3.132 8.890 1.00 0.00 C ATOM 1370 C ALA A 91 -8.054 -2.111 8.864 1.00 0.00 C ATOM 1371 O ALA A 91 -6.982 -2.394 8.335 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.321 -3.736 10.282 1.00 0.00 C ATOM 0 H ALA A 91 -7.919 -4.427 7.839 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.115 -2.637 8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.525 -2.944 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.144 -4.451 10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.397 -4.246 10.555 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.290 -0.929 9.417 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.256 0.097 9.463 1.00 0.00 C ATOM 1380 C PHE A 92 -6.123 -0.329 10.387 1.00 0.00 C ATOM 1381 O PHE A 92 -6.364 -0.754 11.519 1.00 0.00 O ATOM 1382 CB PHE A 92 -7.824 1.444 9.915 1.00 0.00 C ATOM 1383 CG PHE A 92 -8.664 2.126 8.875 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -8.112 2.504 7.659 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -10.001 2.398 9.113 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.878 3.143 6.705 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -10.771 3.036 8.161 1.00 0.00 C ATOM 1388 CZ PHE A 92 -10.210 3.407 6.955 1.00 0.00 C ATOM 0 H PHE A 92 -9.179 -0.658 9.836 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.865 0.217 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.425 1.292 10.812 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.000 2.101 10.191 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.072 2.296 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -10.446 2.108 10.053 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.436 3.436 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.812 3.245 8.360 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.812 3.903 6.208 1.00 0.00 H new ATOM 1398 N ASP A 93 -4.896 -0.236 9.870 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.683 -0.582 10.621 1.00 0.00 C ATOM 1400 C ASP A 93 -3.665 -2.062 10.987 1.00 0.00 C ATOM 1401 O ASP A 93 -2.967 -2.484 11.911 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.551 0.286 11.881 1.00 0.00 C ATOM 1403 CG ASP A 93 -3.313 1.749 11.559 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -4.291 2.469 11.274 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -2.145 2.189 11.587 1.00 0.00 O ATOM 0 H ASP A 93 -4.713 0.081 8.918 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.827 -0.383 9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.458 0.192 12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.727 -0.087 12.490 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.408 -2.852 10.224 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.509 -4.281 10.462 1.00 0.00 C ATOM 1412 C GLN A 94 -3.712 -5.030 9.404 1.00 0.00 C ATOM 1413 O GLN A 94 -4.098 -5.059 8.236 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.975 -4.720 10.415 1.00 0.00 C ATOM 1415 CG GLN A 94 -6.222 -6.110 10.972 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.070 -6.160 12.476 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.029 -5.945 13.216 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -4.868 -6.448 12.937 1.00 0.00 N ATOM 0 H GLN A 94 -4.954 -2.521 9.428 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.105 -4.508 11.449 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.576 -4.003 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.320 -4.687 9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.226 -6.435 10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.524 -6.812 10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.100 -6.619 12.288 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.706 -6.499 13.943 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.595 -5.616 9.808 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.717 -6.308 8.877 1.00 0.00 C ATOM 1429 C VAL A 95 -1.338 -7.681 9.404 1.00 0.00 C ATOM 1430 O VAL A 95 -0.888 -7.818 10.541 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.443 -5.483 8.602 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.574 -6.289 7.808 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.799 -4.199 7.866 1.00 0.00 C ATOM 0 H VAL A 95 -2.275 -5.626 10.776 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.263 -6.431 7.942 1.00 0.00 H new ATOM 0 HB VAL A 95 0.010 -5.227 9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.461 -5.681 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.852 -7.180 8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.139 -6.584 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.108 -3.624 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.278 -4.444 6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.483 -3.608 8.475 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.545 -8.692 8.576 1.00 0.00 N ATOM 1444 CA ASP A 96 -1.176 -10.055 8.918 1.00 0.00 C ATOM 1445 C ASP A 96 -0.517 -10.720 7.715 1.00 0.00 C ATOM 1446 O ASP A 96 -1.160 -10.944 6.690 1.00 0.00 O ATOM 1447 CB ASP A 96 -2.409 -10.848 9.358 1.00 0.00 C ATOM 1448 CG ASP A 96 -2.049 -12.041 10.218 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -1.894 -11.861 11.442 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -1.920 -13.158 9.682 1.00 0.00 O ATOM 0 H ASP A 96 -1.970 -8.592 7.654 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.470 -10.037 9.748 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.081 -10.193 9.913 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.952 -11.189 8.477 1.00 0.00 H new ATOM 1455 N ASP A 97 0.766 -11.031 7.846 1.00 0.00 N ATOM 1456 CA ASP A 97 1.558 -11.560 6.731 1.00 0.00 C ATOM 1457 C ASP A 97 1.224 -13.029 6.467 1.00 0.00 C ATOM 1458 O ASP A 97 1.608 -13.600 5.446 1.00 0.00 O ATOM 1459 CB ASP A 97 3.051 -11.383 7.027 1.00 0.00 C ATOM 1460 CG ASP A 97 3.956 -11.992 5.970 1.00 0.00 C ATOM 1461 OD1 ASP A 97 3.869 -11.590 4.793 1.00 0.00 O ATOM 1462 OD2 ASP A 97 4.779 -12.867 6.327 1.00 0.00 O ATOM 0 H ASP A 97 1.287 -10.927 8.716 1.00 0.00 H new ATOM 0 HA ASP A 97 1.309 -11.001 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.272 -10.319 7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.278 -11.836 7.992 1.00 0.00 H new ATOM 1467 N HIS A 98 0.478 -13.632 7.381 1.00 0.00 N ATOM 1468 CA HIS A 98 0.051 -15.013 7.228 1.00 0.00 C ATOM 1469 C HIS A 98 -0.994 -15.116 6.126 1.00 0.00 C ATOM 1470 O HIS A 98 -1.253 -16.199 5.600 1.00 0.00 O ATOM 1471 CB HIS A 98 -0.517 -15.536 8.549 1.00 0.00 C ATOM 1472 CG HIS A 98 -0.967 -16.959 8.504 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -2.241 -17.356 8.839 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -0.298 -18.080 8.173 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -2.335 -18.667 8.718 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -1.165 -19.129 8.315 1.00 0.00 N ATOM 0 H HIS A 98 0.156 -13.184 8.239 1.00 0.00 H new ATOM 0 HA HIS A 98 0.912 -15.622 6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 98 0.242 -15.432 9.324 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.360 -14.910 8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.732 -18.140 7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.216 -19.260 8.915 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -0.944 -20.109 8.138 1.00 0.00 H new ATOM 1485 N LEU A 99 -1.599 -13.984 5.786 1.00 0.00 N ATOM 1486 CA LEU A 99 -2.591 -13.948 4.729 1.00 0.00 C ATOM 1487 C LEU A 99 -1.952 -14.232 3.379 1.00 0.00 C ATOM 1488 O LEU A 99 -1.144 -13.448 2.882 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.298 -12.598 4.682 1.00 0.00 C ATOM 1490 CG LEU A 99 -4.158 -12.266 5.898 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.863 -10.944 5.681 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.172 -13.370 6.155 1.00 0.00 C ATOM 0 H LEU A 99 -1.418 -13.083 6.228 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.327 -14.722 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.546 -11.817 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.928 -12.568 3.793 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.513 -12.186 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.476 -10.711 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.123 -10.157 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.498 -11.011 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.775 -13.114 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.819 -13.479 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.649 -14.309 6.339 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.342 -15.342 2.782 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.801 -15.751 1.492 1.00 0.00 C ATOM 1506 C GLN A 100 -2.695 -15.240 0.366 1.00 0.00 C ATOM 1507 O GLN A 100 -2.980 -15.941 -0.606 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.637 -17.271 1.437 1.00 0.00 C ATOM 1509 CG GLN A 100 -2.893 -18.053 1.791 1.00 0.00 C ATOM 1510 CD GLN A 100 -2.615 -19.533 1.967 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.411 -19.858 2.414 1.00 0.00 O flip ATOM 1512 NE2 GLN A 100 -3.471 -20.379 1.708 1.00 0.00 N flip ATOM 0 H GLN A 100 -3.035 -15.982 3.169 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.812 -15.311 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.319 -17.554 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.838 -17.563 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.321 -17.653 2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.638 -17.916 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.387 -20.089 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.264 -21.370 1.836 1.00 0.00 H new ATOM 1521 N THR A 101 -3.120 -13.999 0.526 1.00 0.00 N ATOM 1522 CA THR A 101 -3.967 -13.318 -0.435 1.00 0.00 C ATOM 1523 C THR A 101 -3.212 -13.009 -1.730 1.00 0.00 C ATOM 1524 O THR A 101 -2.046 -12.605 -1.700 1.00 0.00 O ATOM 1525 CB THR A 101 -4.474 -12.006 0.182 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.388 -11.369 0.873 1.00 0.00 O ATOM 1527 CG2 THR A 101 -5.621 -12.262 1.149 1.00 0.00 C ATOM 0 H THR A 101 -2.883 -13.429 1.338 1.00 0.00 H new ATOM 0 HA THR A 101 -4.803 -13.974 -0.679 1.00 0.00 H new ATOM 0 HB THR A 101 -4.845 -11.361 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.617 -10.433 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.960 -11.316 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.445 -12.738 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.281 -12.916 1.952 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.867 -13.196 -2.883 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.275 -12.900 -4.186 1.00 0.00 C ATOM 1537 C PRO A 102 -3.088 -11.398 -4.402 1.00 0.00 C ATOM 1538 O PRO A 102 -4.053 -10.631 -4.391 1.00 0.00 O ATOM 1539 CB PRO A 102 -4.290 -13.462 -5.195 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.229 -14.300 -4.395 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.231 -13.717 -3.014 1.00 0.00 C ATOM 0 HA PRO A 102 -2.281 -13.337 -4.285 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.820 -12.659 -5.706 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.792 -14.055 -5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.230 -14.284 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.905 -15.341 -4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.977 -12.930 -2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.452 -14.470 -2.257 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.842 -10.986 -4.583 1.00 0.00 N ATOM 1550 CA TYR A 103 -1.529 -9.586 -4.841 1.00 0.00 C ATOM 1551 C TYR A 103 -1.771 -9.242 -6.305 1.00 0.00 C ATOM 1552 O TYR A 103 -1.877 -10.130 -7.153 1.00 0.00 O ATOM 1553 CB TYR A 103 -0.079 -9.280 -4.453 1.00 0.00 C ATOM 1554 CG TYR A 103 0.918 -10.330 -4.897 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.390 -10.372 -6.203 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.383 -11.282 -4.001 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.298 -11.333 -6.603 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.291 -12.242 -4.389 1.00 0.00 C ATOM 1559 CZ TYR A 103 2.744 -12.266 -5.691 1.00 0.00 C ATOM 1560 OH TYR A 103 3.646 -13.228 -6.082 1.00 0.00 O ATOM 0 H TYR A 103 -1.029 -11.602 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.189 -8.970 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.206 -8.320 -4.884 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.019 -9.174 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.041 -9.641 -6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.027 -11.270 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.656 -11.353 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.646 -12.972 -3.677 1.00 0.00 H new ATOM 0 HH TYR A 103 3.858 -13.806 -5.320 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.874 -7.957 -6.596 1.00 0.00 N ATOM 1571 CA HIS A 104 -2.097 -7.502 -7.960 1.00 0.00 C ATOM 1572 C HIS A 104 -1.042 -6.489 -8.363 1.00 0.00 C ATOM 1573 O HIS A 104 -0.455 -5.823 -7.510 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.503 -6.916 -8.118 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.568 -7.959 -8.292 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.311 -8.091 -9.443 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.004 -8.932 -7.455 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -6.151 -9.099 -9.310 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.986 -9.631 -8.112 1.00 0.00 N ATOM 0 H HIS A 104 -1.807 -7.208 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.016 -8.363 -8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.737 -6.311 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.515 -6.248 -8.979 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.645 -9.122 -6.455 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.856 -9.434 -10.056 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.502 -10.428 -7.738 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.813 -6.380 -9.664 1.00 0.00 N ATOM 1589 CA GLU A 105 0.273 -5.568 -10.193 1.00 0.00 C ATOM 1590 C GLU A 105 -0.036 -4.077 -10.083 1.00 0.00 C ATOM 1591 O GLU A 105 0.699 -3.326 -9.441 1.00 0.00 O ATOM 1592 CB GLU A 105 0.528 -5.946 -11.653 1.00 0.00 C ATOM 1593 CG GLU A 105 1.724 -5.242 -12.272 1.00 0.00 C ATOM 1594 CD GLU A 105 1.941 -5.645 -13.714 1.00 0.00 C ATOM 1595 OE1 GLU A 105 2.668 -6.629 -13.957 1.00 0.00 O ATOM 1596 OE2 GLU A 105 1.377 -4.986 -14.614 1.00 0.00 O ATOM 0 H GLU A 105 -1.371 -6.849 -10.378 1.00 0.00 H new ATOM 0 HA GLU A 105 1.166 -5.764 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.680 -7.023 -11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.361 -5.713 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.577 -4.163 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.619 -5.473 -11.694 1.00 0.00 H new ATOM 1603 N THR A 106 -1.121 -3.650 -10.716 1.00 0.00 N ATOM 1604 CA THR A 106 -1.487 -2.243 -10.718 1.00 0.00 C ATOM 1605 C THR A 106 -2.619 -1.971 -9.737 1.00 0.00 C ATOM 1606 O THR A 106 -3.372 -2.879 -9.375 1.00 0.00 O ATOM 1607 CB THR A 106 -1.906 -1.771 -12.125 1.00 0.00 C ATOM 1608 OG1 THR A 106 -3.002 -2.560 -12.615 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.741 -1.858 -13.097 1.00 0.00 C ATOM 0 H THR A 106 -1.759 -4.256 -11.232 1.00 0.00 H new ATOM 0 HA THR A 106 -0.604 -1.684 -10.409 1.00 0.00 H new ATOM 0 HB THR A 106 -2.220 -0.730 -12.047 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.257 -2.247 -13.508 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.063 -1.520 -14.082 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.075 -1.226 -12.745 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.398 -2.891 -13.162 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.747 -0.720 -9.317 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.803 -0.335 -8.393 1.00 0.00 C ATOM 1619 C VAL A 107 -5.151 -0.350 -9.107 1.00 0.00 C ATOM 1620 O VAL A 107 -6.195 -0.567 -8.491 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.538 1.061 -7.776 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.595 2.154 -8.832 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.518 1.352 -6.648 1.00 0.00 C ATOM 0 H VAL A 107 -2.134 0.044 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.818 -1.059 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.530 1.051 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.405 3.121 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.839 1.964 -9.594 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.582 2.162 -9.294 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.311 2.338 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.536 1.328 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.409 0.598 -5.868 1.00 0.00 H new ATOM 1633 N TYR A 108 -5.112 -0.154 -10.419 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.317 -0.155 -11.232 1.00 0.00 C ATOM 1635 C TYR A 108 -6.959 -1.537 -11.233 1.00 0.00 C ATOM 1636 O TYR A 108 -8.122 -1.695 -10.856 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.994 0.273 -12.662 1.00 0.00 C ATOM 1638 CG TYR A 108 -5.422 1.671 -12.765 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -6.236 2.787 -12.626 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -4.071 1.871 -13.018 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.721 4.064 -12.729 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -3.548 3.145 -13.120 1.00 0.00 C ATOM 1643 CZ TYR A 108 -4.378 4.238 -12.978 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.863 5.508 -13.087 1.00 0.00 O ATOM 0 H TYR A 108 -4.252 0.008 -10.943 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.021 0.557 -10.802 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.283 -0.433 -13.091 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.902 0.216 -13.263 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.290 2.654 -12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.420 1.018 -13.137 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.368 4.921 -12.615 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.494 3.285 -13.310 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.983 5.983 -12.238 1.00 0.00 H new ATOM 1654 N SER A 109 -6.186 -2.539 -11.632 1.00 0.00 N ATOM 1655 CA SER A 109 -6.681 -3.906 -11.693 1.00 0.00 C ATOM 1656 C SER A 109 -7.068 -4.403 -10.302 1.00 0.00 C ATOM 1657 O SER A 109 -8.022 -5.167 -10.146 1.00 0.00 O ATOM 1658 CB SER A 109 -5.628 -4.820 -12.327 1.00 0.00 C ATOM 1659 OG SER A 109 -4.367 -4.671 -11.694 1.00 0.00 O ATOM 0 H SER A 109 -5.213 -2.429 -11.918 1.00 0.00 H new ATOM 0 HA SER A 109 -7.575 -3.926 -12.316 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.953 -5.858 -12.254 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.534 -4.589 -13.388 1.00 0.00 H new ATOM 0 HG SER A 109 -3.829 -4.016 -12.186 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.338 -3.942 -9.290 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.641 -4.293 -7.911 1.00 0.00 C ATOM 1667 C LEU A 110 -8.012 -3.757 -7.508 1.00 0.00 C ATOM 1668 O LEU A 110 -8.900 -4.522 -7.148 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.572 -3.741 -6.966 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.793 -4.074 -5.491 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.598 -5.560 -5.240 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.865 -3.258 -4.613 1.00 0.00 C ATOM 0 H LEU A 110 -5.533 -3.325 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.651 -5.380 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.600 -4.130 -7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.531 -2.658 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.821 -3.817 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.760 -5.775 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.311 -6.127 -5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.583 -5.846 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.039 -3.510 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.830 -3.480 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.058 -2.196 -4.767 1.00 0.00 H new ATOM 1684 N LEU A 111 -8.191 -2.445 -7.607 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.427 -1.803 -7.164 1.00 0.00 C ATOM 1686 C LEU A 111 -10.627 -2.224 -8.004 1.00 0.00 C ATOM 1687 O LEU A 111 -11.769 -2.108 -7.556 1.00 0.00 O ATOM 1688 CB LEU A 111 -9.287 -0.279 -7.180 1.00 0.00 C ATOM 1689 CG LEU A 111 -8.847 0.349 -5.853 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.892 0.110 -4.776 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -7.500 -0.200 -5.412 1.00 0.00 C ATOM 0 H LEU A 111 -7.497 -1.803 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.604 -2.135 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.566 -0.004 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.244 0.155 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.744 1.423 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.562 0.563 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.838 0.557 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.027 -0.962 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.210 0.262 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.572 -1.280 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.750 0.024 -6.170 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.372 -2.771 -9.185 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.452 -3.148 -10.090 1.00 0.00 C ATOM 1705 C ASP A 112 -11.976 -4.486 -9.636 1.00 0.00 C ATOM 1706 O ASP A 112 -13.108 -4.888 -9.914 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.952 -3.236 -11.535 1.00 0.00 C ATOM 1708 CG ASP A 112 -12.054 -3.624 -12.499 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -13.061 -2.896 -12.567 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.916 -4.654 -13.194 1.00 0.00 O ATOM 0 H ASP A 112 -9.434 -2.963 -9.538 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.240 -2.395 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.534 -2.274 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.145 -3.967 -11.595 1.00 0.00 H new ATOM 1715 N THR A 113 -11.116 -5.136 -8.892 1.00 0.00 N ATOM 1716 CA THR A 113 -11.373 -6.421 -8.308 1.00 0.00 C ATOM 1717 C THR A 113 -11.994 -6.260 -6.913 1.00 0.00 C ATOM 1718 O THR A 113 -12.586 -7.193 -6.361 1.00 0.00 O ATOM 1719 CB THR A 113 -10.032 -7.180 -8.231 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.528 -7.412 -9.554 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.170 -8.493 -7.506 1.00 0.00 C ATOM 0 H THR A 113 -10.190 -4.770 -8.672 1.00 0.00 H new ATOM 0 HA THR A 113 -12.083 -6.982 -8.916 1.00 0.00 H new ATOM 0 HB THR A 113 -9.334 -6.560 -7.669 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.994 -6.642 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.203 -8.995 -7.475 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.518 -8.312 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.889 -9.124 -8.029 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.892 -5.053 -6.363 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.335 -4.799 -4.997 1.00 0.00 C ATOM 1731 C LEU A 114 -13.683 -4.079 -4.948 1.00 0.00 C ATOM 1732 O LEU A 114 -14.583 -4.496 -4.221 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.283 -3.985 -4.230 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.245 -4.803 -3.448 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -10.931 -5.717 -2.453 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.360 -5.612 -4.379 1.00 0.00 C ATOM 0 H LEU A 114 -11.508 -4.238 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.461 -5.771 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.756 -3.348 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.799 -3.326 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.611 -4.101 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -10.181 -6.289 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.513 -5.119 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.594 -6.401 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.637 -6.179 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.975 -6.300 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -8.832 -4.939 -5.054 1.00 0.00 H new ATOM 1748 N SER A 115 -13.832 -3.003 -5.710 1.00 0.00 N ATOM 1749 CA SER A 115 -15.041 -2.192 -5.627 1.00 0.00 C ATOM 1750 C SER A 115 -15.693 -2.010 -6.994 1.00 0.00 C ATOM 1751 O SER A 115 -15.016 -1.705 -7.974 1.00 0.00 O ATOM 1752 CB SER A 115 -14.710 -0.828 -5.024 1.00 0.00 C ATOM 1753 OG SER A 115 -14.083 -0.970 -3.763 1.00 0.00 O ATOM 0 H SER A 115 -13.141 -2.674 -6.384 1.00 0.00 H new ATOM 0 HA SER A 115 -15.751 -2.715 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.056 -0.277 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.623 -0.243 -4.916 1.00 0.00 H new ATOM 0 HG SER A 115 -13.474 -0.217 -3.614 1.00 0.00 H new ATOM 1759 N PRO A 116 -17.020 -2.197 -7.073 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.774 -1.974 -8.305 1.00 0.00 C ATOM 1761 C PRO A 116 -17.964 -0.487 -8.593 1.00 0.00 C ATOM 1762 O PRO A 116 -18.128 -0.080 -9.745 1.00 0.00 O ATOM 1763 CB PRO A 116 -19.116 -2.657 -8.036 1.00 0.00 C ATOM 1764 CG PRO A 116 -19.272 -2.645 -6.555 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.883 -2.666 -5.971 1.00 0.00 C ATOM 0 HA PRO A 116 -17.261 -2.370 -9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.933 -2.124 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -19.124 -3.675 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.814 -1.757 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.846 -3.509 -6.220 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.807 -2.014 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.603 -3.668 -5.645 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.914 0.327 -7.538 1.00 0.00 N ATOM 1774 CA ALA A 117 -18.026 1.773 -7.677 1.00 0.00 C ATOM 1775 C ALA A 117 -16.779 2.356 -8.327 1.00 0.00 C ATOM 1776 O ALA A 117 -16.739 3.538 -8.674 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.263 2.420 -6.322 1.00 0.00 C ATOM 0 H ALA A 117 -17.796 0.005 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.879 1.985 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.344 3.500 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -19.186 2.033 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.429 2.191 -5.659 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.760 1.519 -8.486 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.534 1.923 -9.147 1.00 0.00 C ATOM 1785 C TYR A 118 -14.819 2.348 -10.581 1.00 0.00 C ATOM 1786 O TYR A 118 -14.432 3.436 -10.996 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.515 0.780 -9.123 1.00 0.00 C ATOM 1788 CG TYR A 118 -12.321 1.010 -10.022 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -11.316 1.898 -9.665 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -12.207 0.340 -11.234 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -10.232 2.115 -10.493 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -11.126 0.550 -12.064 1.00 0.00 C ATOM 1793 CZ TYR A 118 -10.143 1.437 -11.690 1.00 0.00 C ATOM 1794 OH TYR A 118 -9.069 1.652 -12.521 1.00 0.00 O ATOM 0 H TYR A 118 -15.764 0.552 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.115 2.774 -8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -13.166 0.638 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -14.011 -0.143 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -11.382 2.427 -8.726 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.977 -0.356 -11.531 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.459 2.812 -10.204 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -11.051 0.021 -13.003 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.159 1.095 -13.323 1.00 0.00 H new ATOM 1804 N ARG A 119 -15.529 1.500 -11.322 1.00 0.00 N ATOM 1805 CA ARG A 119 -15.830 1.780 -12.722 1.00 0.00 C ATOM 1806 C ARG A 119 -16.809 2.939 -12.846 1.00 0.00 C ATOM 1807 O ARG A 119 -16.861 3.611 -13.877 1.00 0.00 O ATOM 1808 CB ARG A 119 -16.389 0.537 -13.420 1.00 0.00 C ATOM 1809 CG ARG A 119 -15.399 -0.611 -13.471 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.911 -1.779 -14.301 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.928 -2.858 -14.345 1.00 0.00 N ATOM 1812 CZ ARG A 119 -14.981 -3.912 -15.153 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -15.980 -4.056 -16.017 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.014 -4.823 -15.097 1.00 0.00 N ATOM 0 H ARG A 119 -15.905 0.617 -10.977 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.898 2.061 -13.213 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.290 0.210 -12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -16.685 0.800 -14.436 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.457 -0.257 -13.889 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -15.190 -0.953 -12.457 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -16.845 -2.149 -13.878 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.132 -1.441 -15.314 1.00 0.00 H new ATOM 0 HE ARG A 119 -14.137 -2.798 -13.704 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.718 -3.353 -16.066 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.009 -4.869 -16.632 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.243 -4.708 -14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.043 -5.636 -15.712 1.00 0.00 H new ATOM 1828 N GLU A 120 -17.575 3.169 -11.789 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.495 4.294 -11.744 1.00 0.00 C ATOM 1830 C GLU A 120 -17.713 5.603 -11.711 1.00 0.00 C ATOM 1831 O GLU A 120 -17.976 6.521 -12.488 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.388 4.201 -10.506 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.129 2.883 -10.375 1.00 0.00 C ATOM 1834 CD GLU A 120 -21.134 2.659 -11.483 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -22.258 3.191 -11.386 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.814 1.929 -12.442 1.00 0.00 O ATOM 0 H GLU A 120 -17.577 2.589 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 120 -19.121 4.268 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.775 4.351 -9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -20.115 5.013 -10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.408 2.065 -10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.643 2.855 -9.414 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.736 5.667 -10.813 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.915 6.859 -10.650 1.00 0.00 C ATOM 1845 C ALA A 121 -14.884 6.977 -11.769 1.00 0.00 C ATOM 1846 O ALA A 121 -14.546 8.080 -12.200 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.223 6.846 -9.296 1.00 0.00 C ATOM 0 H ALA A 121 -16.493 4.902 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.572 7.727 -10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.614 7.744 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.972 6.821 -8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.586 5.964 -9.221 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.389 5.837 -12.238 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.386 5.807 -13.298 1.00 0.00 C ATOM 1855 C PHE A 122 -13.985 6.297 -14.614 1.00 0.00 C ATOM 1856 O PHE A 122 -13.275 6.826 -15.470 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.823 4.389 -13.458 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.642 4.300 -14.381 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.400 4.765 -13.980 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.774 3.755 -15.648 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -9.310 4.685 -14.825 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.687 3.673 -16.498 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.454 4.140 -16.086 1.00 0.00 C ATOM 0 H PHE A 122 -14.667 4.916 -11.899 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.570 6.475 -13.023 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.534 4.012 -12.477 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.612 3.736 -13.831 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.283 5.195 -12.996 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.737 3.390 -15.975 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.346 5.048 -14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.802 3.244 -17.483 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.604 4.079 -16.749 1.00 0.00 H new