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 -177:sc= 0.19 USER MOD Set 1.2: A 109 SER OG : rot 91:sc= 0.197 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 173:sc= 1.54 (180deg=0.71) USER MOD Set 2.2: A 56 SER OG : rot 88:sc= 2.09 USER MOD Set 3.1: A 54 SER OG : rot -25:sc= 1.17 USER MOD Set 3.2: A 59 CYS SG : rot 34:sc= -0.0038 USER MOD Single : A 33 MET CE :methyl 162:sc= -0.197 (180deg=-0.828) USER MOD Single : A 42 ASN : amide:sc= -0.643! X(o=-0.64!,f=-0.22) USER MOD Single : A 49 ASN : amide:sc= -1.98 K(o=-2,f=-3.6!) USER MOD Single : A 50 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.6) USER MOD Single : A 51 MET CE :methyl -125:sc= 0 (180deg=-1.08) USER MOD Single : A 65 TYR OH : rot -128:sc= 1.26 USER MOD Single : A 67 ASN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 70 THR OG1 : rot -68:sc= 1.15 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc=-0.00118 (180deg=-0.137) USER MOD Single : A 74 ASN : amide:sc= -0.212 K(o=-0.21,f=-1) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -155:sc= 0.0152 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.943) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.1!) USER MOD Single : A 98 HIS : no HE2:sc= 0.329 K(o=0.33,f=-5.4!) USER MOD Single : A 100 GLN : amide:sc= 0.316 X(o=0.32,f=-0.016) USER MOD Single : A 101 THR OG1 : rot 135:sc= 0.763 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.003 X(o=-0.003,f=-0.067) USER MOD Single : A 108 TYR OH : rot 21:sc= 1.25 USER MOD Single : A 113 THR OG1 : rot 128:sc= 0.754 USER MOD Single : A 115 SER OG : rot -94:sc= 0.772 USER MOD Single : A 118 TYR OH : rot 162:sc= -0.281 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.497 5.246 -4.971 1.00 0.00 N ATOM 439 CA ASP A 32 10.940 5.372 -3.632 1.00 0.00 C ATOM 440 C ASP A 32 9.542 4.778 -3.593 1.00 0.00 C ATOM 441 O ASP A 32 8.626 5.284 -4.241 1.00 0.00 O ATOM 442 CB ASP A 32 10.900 6.832 -3.179 1.00 0.00 C ATOM 443 CG ASP A 32 12.279 7.442 -3.039 1.00 0.00 C ATOM 444 OD1 ASP A 32 12.884 7.323 -1.950 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.764 8.051 -4.016 1.00 0.00 O ATOM 0 HA ASP A 32 11.586 4.825 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.321 7.414 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.380 6.897 -2.223 1.00 0.00 H new ATOM 450 N MET A 33 9.383 3.695 -2.845 1.00 0.00 N ATOM 451 CA MET A 33 8.095 3.023 -2.743 1.00 0.00 C ATOM 452 C MET A 33 7.076 3.953 -2.099 1.00 0.00 C ATOM 453 O MET A 33 5.891 3.920 -2.419 1.00 0.00 O ATOM 454 CB MET A 33 8.224 1.736 -1.927 1.00 0.00 C ATOM 455 CG MET A 33 7.050 0.786 -2.101 1.00 0.00 C ATOM 456 SD MET A 33 6.829 0.272 -3.816 1.00 0.00 S ATOM 457 CE MET A 33 8.452 -0.395 -4.181 1.00 0.00 C ATOM 0 H MET A 33 10.129 3.263 -2.300 1.00 0.00 H new ATOM 0 HA MET A 33 7.756 2.762 -3.746 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.142 1.223 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 33 8.320 1.992 -0.872 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.204 -0.095 -1.478 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.139 1.270 -1.750 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.394 -1.030 -5.065 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.148 0.423 -4.367 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.803 -0.984 -3.333 1.00 0.00 H new ATOM 467 N ARG A 34 7.558 4.802 -1.201 1.00 0.00 N ATOM 468 CA ARG A 34 6.710 5.793 -0.551 1.00 0.00 C ATOM 469 C ARG A 34 6.273 6.847 -1.567 1.00 0.00 C ATOM 470 O ARG A 34 5.184 7.412 -1.471 1.00 0.00 O ATOM 471 CB ARG A 34 7.461 6.454 0.609 1.00 0.00 C ATOM 472 CG ARG A 34 6.595 7.368 1.463 1.00 0.00 C ATOM 473 CD ARG A 34 7.402 8.008 2.581 1.00 0.00 C ATOM 474 NE ARG A 34 6.571 8.824 3.463 1.00 0.00 N ATOM 475 CZ ARG A 34 6.983 9.954 4.040 1.00 0.00 C ATOM 476 NH1 ARG A 34 8.213 10.407 3.824 1.00 0.00 N ATOM 477 NH2 ARG A 34 6.161 10.634 4.827 1.00 0.00 N ATOM 0 H ARG A 34 8.534 4.824 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 34 5.825 5.296 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.887 5.676 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.295 7.030 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.156 8.145 0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.770 6.797 1.888 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.893 7.229 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.189 8.627 2.150 1.00 0.00 H new ATOM 0 HE ARG A 34 5.618 8.511 3.649 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.847 9.890 3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.523 11.272 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.214 10.293 4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.476 11.498 5.268 1.00 0.00 H new ATOM 491 N LEU A 35 7.132 7.083 -2.551 1.00 0.00 N ATOM 492 CA LEU A 35 6.854 8.038 -3.613 1.00 0.00 C ATOM 493 C LEU A 35 5.704 7.550 -4.486 1.00 0.00 C ATOM 494 O LEU A 35 4.690 8.232 -4.635 1.00 0.00 O ATOM 495 CB LEU A 35 8.097 8.229 -4.481 1.00 0.00 C ATOM 496 CG LEU A 35 7.895 9.109 -5.708 1.00 0.00 C ATOM 497 CD1 LEU A 35 7.872 10.570 -5.311 1.00 0.00 C ATOM 498 CD2 LEU A 35 8.982 8.847 -6.738 1.00 0.00 C ATOM 0 H LEU A 35 8.037 6.619 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 35 6.575 8.987 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.887 8.662 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.448 7.250 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 35 6.934 8.861 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.727 11.186 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.055 10.744 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.818 10.833 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.821 9.485 -7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.957 9.067 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.949 7.801 -7.044 1.00 0.00 H new ATOM 510 N GLU A 36 5.876 6.358 -5.054 1.00 0.00 N ATOM 511 CA GLU A 36 4.860 5.754 -5.913 1.00 0.00 C ATOM 512 C GLU A 36 3.556 5.581 -5.143 1.00 0.00 C ATOM 513 O GLU A 36 2.467 5.680 -5.705 1.00 0.00 O ATOM 514 CB GLU A 36 5.339 4.396 -6.435 1.00 0.00 C ATOM 515 CG GLU A 36 6.642 4.459 -7.218 1.00 0.00 C ATOM 516 CD GLU A 36 6.551 5.343 -8.446 1.00 0.00 C ATOM 517 OE1 GLU A 36 5.833 4.979 -9.398 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.211 6.401 -8.470 1.00 0.00 O ATOM 0 H GLU A 36 6.714 5.789 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 36 4.688 6.416 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.467 3.718 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.564 3.969 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.433 4.831 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.926 3.452 -7.522 1.00 0.00 H new ATOM 525 N ALA A 37 3.686 5.345 -3.843 1.00 0.00 N ATOM 526 CA ALA A 37 2.532 5.168 -2.971 1.00 0.00 C ATOM 527 C ALA A 37 1.686 6.433 -2.930 1.00 0.00 C ATOM 528 O ALA A 37 0.469 6.385 -3.109 1.00 0.00 O ATOM 529 CB ALA A 37 2.981 4.791 -1.568 1.00 0.00 C ATOM 0 H ALA A 37 4.585 5.271 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 37 1.922 4.360 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.108 4.662 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.544 3.859 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.613 5.581 -1.164 1.00 0.00 H new ATOM 535 N GLU A 38 2.343 7.565 -2.715 1.00 0.00 N ATOM 536 CA GLU A 38 1.664 8.850 -2.657 1.00 0.00 C ATOM 537 C GLU A 38 1.021 9.167 -4.003 1.00 0.00 C ATOM 538 O GLU A 38 -0.076 9.729 -4.070 1.00 0.00 O ATOM 539 CB GLU A 38 2.653 9.953 -2.278 1.00 0.00 C ATOM 540 CG GLU A 38 1.994 11.296 -2.016 1.00 0.00 C ATOM 541 CD GLU A 38 1.144 11.295 -0.764 1.00 0.00 C ATOM 542 OE1 GLU A 38 0.003 10.787 -0.805 1.00 0.00 O ATOM 543 OE2 GLU A 38 1.608 11.814 0.272 1.00 0.00 O ATOM 0 H GLU A 38 3.352 7.618 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 38 0.884 8.798 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.202 9.647 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.383 10.066 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.764 12.063 -1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.374 11.565 -2.871 1.00 0.00 H new ATOM 550 N ALA A 39 1.717 8.797 -5.074 1.00 0.00 N ATOM 551 CA ALA A 39 1.207 8.977 -6.423 1.00 0.00 C ATOM 552 C ALA A 39 -0.073 8.171 -6.618 1.00 0.00 C ATOM 553 O ALA A 39 -1.071 8.687 -7.122 1.00 0.00 O ATOM 554 CB ALA A 39 2.258 8.569 -7.445 1.00 0.00 C ATOM 0 H ALA A 39 2.641 8.368 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 39 0.975 10.032 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.861 8.709 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.148 9.185 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.518 7.520 -7.301 1.00 0.00 H new ATOM 560 N VAL A 40 -0.034 6.909 -6.201 1.00 0.00 N ATOM 561 CA VAL A 40 -1.193 6.027 -6.278 1.00 0.00 C ATOM 562 C VAL A 40 -2.367 6.588 -5.478 1.00 0.00 C ATOM 563 O VAL A 40 -3.485 6.680 -5.988 1.00 0.00 O ATOM 564 CB VAL A 40 -0.849 4.610 -5.764 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.102 3.771 -5.589 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.116 3.919 -6.713 1.00 0.00 C ATOM 0 H VAL A 40 0.797 6.471 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.480 5.963 -7.328 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.371 4.715 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.829 2.780 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.764 4.251 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.615 3.679 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.347 2.923 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.340 3.836 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.034 4.501 -6.786 1.00 0.00 H new ATOM 576 N VAL A 41 -2.100 6.968 -4.233 1.00 0.00 N ATOM 577 CA VAL A 41 -3.129 7.508 -3.351 1.00 0.00 C ATOM 578 C VAL A 41 -3.817 8.719 -3.978 1.00 0.00 C ATOM 579 O VAL A 41 -5.041 8.803 -4.000 1.00 0.00 O ATOM 580 CB VAL A 41 -2.538 7.906 -1.981 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.558 8.664 -1.145 1.00 0.00 C ATOM 582 CG2 VAL A 41 -2.054 6.677 -1.232 1.00 0.00 C ATOM 0 H VAL A 41 -1.174 6.911 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.867 6.720 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.688 8.564 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.115 8.932 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.859 9.570 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.432 8.034 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.641 6.977 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.890 5.996 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.283 6.175 -1.817 1.00 0.00 H new ATOM 592 N ASN A 42 -3.026 9.647 -4.503 1.00 0.00 N ATOM 593 CA ASN A 42 -3.569 10.862 -5.105 1.00 0.00 C ATOM 594 C ASN A 42 -4.345 10.530 -6.380 1.00 0.00 C ATOM 595 O ASN A 42 -5.380 11.134 -6.664 1.00 0.00 O ATOM 596 CB ASN A 42 -2.432 11.842 -5.432 1.00 0.00 C ATOM 597 CG ASN A 42 -2.894 13.283 -5.655 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.146 14.226 -5.389 1.00 0.00 O ATOM 599 ND2 ASN A 42 -4.110 13.475 -6.147 1.00 0.00 N ATOM 0 H ASN A 42 -2.008 9.583 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.250 11.325 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.708 11.826 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.914 11.495 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.449 14.422 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.707 12.675 -6.358 1.00 0.00 H new ATOM 606 N ASP A 43 -3.846 9.554 -7.130 1.00 0.00 N ATOM 607 CA ASP A 43 -4.398 9.230 -8.445 1.00 0.00 C ATOM 608 C ASP A 43 -5.807 8.646 -8.339 1.00 0.00 C ATOM 609 O ASP A 43 -6.725 9.103 -9.018 1.00 0.00 O ATOM 610 CB ASP A 43 -3.471 8.254 -9.180 1.00 0.00 C ATOM 611 CG ASP A 43 -3.884 8.007 -10.619 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.794 8.948 -11.439 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.271 6.867 -10.942 1.00 0.00 O ATOM 0 H ASP A 43 -3.058 8.970 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.468 10.157 -9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.454 8.646 -9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.456 7.304 -8.645 1.00 0.00 H new ATOM 618 N VAL A 44 -5.986 7.663 -7.463 1.00 0.00 N ATOM 619 CA VAL A 44 -7.269 6.974 -7.347 1.00 0.00 C ATOM 620 C VAL A 44 -8.049 7.434 -6.114 1.00 0.00 C ATOM 621 O VAL A 44 -9.010 6.784 -5.700 1.00 0.00 O ATOM 622 CB VAL A 44 -7.089 5.440 -7.292 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.458 4.926 -8.576 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.258 5.030 -6.085 1.00 0.00 C ATOM 0 H VAL A 44 -5.264 7.326 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.837 7.232 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.077 4.990 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.340 3.844 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.099 5.175 -9.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.481 5.390 -8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.147 3.946 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.274 5.495 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.757 5.356 -5.172 1.00 0.00 H new ATOM 634 N LEU A 45 -7.646 8.571 -5.555 1.00 0.00 N ATOM 635 CA LEU A 45 -8.276 9.114 -4.351 1.00 0.00 C ATOM 636 C LEU A 45 -9.779 9.322 -4.547 1.00 0.00 C ATOM 637 O LEU A 45 -10.573 9.108 -3.630 1.00 0.00 O ATOM 638 CB LEU A 45 -7.618 10.440 -3.955 1.00 0.00 C ATOM 639 CG LEU A 45 -8.132 11.063 -2.657 1.00 0.00 C ATOM 640 CD1 LEU A 45 -7.840 10.156 -1.471 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.510 12.435 -2.446 1.00 0.00 C ATOM 0 H LEU A 45 -6.881 9.139 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.135 8.387 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.544 10.280 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.764 11.155 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.213 11.180 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.214 10.619 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.332 9.195 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.764 10.004 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.886 12.866 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.426 12.338 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.772 13.086 -3.280 1.00 0.00 H new ATOM 653 N PHE A 46 -10.169 9.716 -5.754 1.00 0.00 N ATOM 654 CA PHE A 46 -11.568 10.018 -6.043 1.00 0.00 C ATOM 655 C PHE A 46 -12.393 8.743 -6.204 1.00 0.00 C ATOM 656 O PHE A 46 -13.621 8.792 -6.263 1.00 0.00 O ATOM 657 CB PHE A 46 -11.685 10.877 -7.311 1.00 0.00 C ATOM 658 CG PHE A 46 -11.334 10.154 -8.584 1.00 0.00 C ATOM 659 CD1 PHE A 46 -10.011 9.955 -8.942 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.332 9.674 -9.421 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.690 9.289 -10.110 1.00 0.00 C ATOM 662 CE2 PHE A 46 -12.014 9.008 -10.589 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.690 8.816 -10.933 1.00 0.00 C ATOM 0 H PHE A 46 -9.539 9.834 -6.547 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.964 10.576 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.706 11.251 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.034 11.745 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.223 10.324 -8.303 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.368 9.823 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.655 9.139 -10.378 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.799 8.638 -11.232 1.00 0.00 H new ATOM 0 HZ PHE A 46 -10.438 8.296 -11.846 1.00 0.00 H new ATOM 673 N ALA A 47 -11.718 7.604 -6.266 1.00 0.00 N ATOM 674 CA ALA A 47 -12.388 6.334 -6.501 1.00 0.00 C ATOM 675 C ALA A 47 -12.843 5.697 -5.193 1.00 0.00 C ATOM 676 O ALA A 47 -13.657 4.773 -5.191 1.00 0.00 O ATOM 677 CB ALA A 47 -11.468 5.397 -7.260 1.00 0.00 C ATOM 0 H ALA A 47 -10.706 7.534 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.278 6.522 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.976 4.448 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.202 5.845 -8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.564 5.223 -6.677 1.00 0.00 H new ATOM 683 N VAL A 48 -12.322 6.197 -4.083 1.00 0.00 N ATOM 684 CA VAL A 48 -12.682 5.679 -2.769 1.00 0.00 C ATOM 685 C VAL A 48 -13.143 6.813 -1.861 1.00 0.00 C ATOM 686 O VAL A 48 -13.317 7.942 -2.317 1.00 0.00 O ATOM 687 CB VAL A 48 -11.505 4.928 -2.106 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.123 3.700 -2.917 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.304 5.844 -1.924 1.00 0.00 C ATOM 0 H VAL A 48 -11.647 6.962 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.498 4.970 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.832 4.600 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.293 3.187 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.978 3.026 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.825 4.005 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.491 5.289 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.978 6.214 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.581 6.686 -1.290 1.00 0.00 H new ATOM 699 N ASN A 49 -13.358 6.510 -0.586 1.00 0.00 N ATOM 700 CA ASN A 49 -13.748 7.531 0.380 1.00 0.00 C ATOM 701 C ASN A 49 -12.510 8.241 0.910 1.00 0.00 C ATOM 702 O ASN A 49 -12.392 9.467 0.831 1.00 0.00 O ATOM 703 CB ASN A 49 -14.535 6.925 1.554 1.00 0.00 C ATOM 704 CG ASN A 49 -15.917 6.435 1.161 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.525 6.932 0.216 1.00 0.00 O ATOM 706 ND2 ASN A 49 -16.432 5.465 1.896 1.00 0.00 N ATOM 0 H ASN A 49 -13.270 5.571 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.395 8.245 -0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.968 6.094 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.632 7.672 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.363 5.105 1.686 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.898 5.076 2.673 1.00 0.00 H new ATOM 713 N ASN A 50 -11.583 7.456 1.430 1.00 0.00 N ATOM 714 CA ASN A 50 -10.356 7.989 1.996 1.00 0.00 C ATOM 715 C ASN A 50 -9.192 7.073 1.654 1.00 0.00 C ATOM 716 O ASN A 50 -9.373 5.868 1.482 1.00 0.00 O ATOM 717 CB ASN A 50 -10.488 8.126 3.517 1.00 0.00 C ATOM 718 CG ASN A 50 -9.266 8.761 4.153 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.608 9.610 3.552 1.00 0.00 O ATOM 720 ND2 ASN A 50 -8.953 8.346 5.369 1.00 0.00 N ATOM 0 H ASN A 50 -11.658 6.440 1.472 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.171 8.976 1.572 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.368 8.727 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.650 7.141 3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.138 8.732 5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.527 7.640 5.830 1.00 0.00 H new ATOM 727 N MET A 51 -8.006 7.642 1.540 1.00 0.00 N ATOM 728 CA MET A 51 -6.815 6.873 1.230 1.00 0.00 C ATOM 729 C MET A 51 -5.589 7.626 1.720 1.00 0.00 C ATOM 730 O MET A 51 -5.464 8.829 1.496 1.00 0.00 O ATOM 731 CB MET A 51 -6.718 6.625 -0.276 1.00 0.00 C ATOM 732 CG MET A 51 -5.941 5.372 -0.637 1.00 0.00 C ATOM 733 SD MET A 51 -5.737 5.172 -2.413 1.00 0.00 S ATOM 734 CE MET A 51 -4.971 3.558 -2.460 1.00 0.00 C ATOM 0 H MET A 51 -7.842 8.642 1.659 1.00 0.00 H new ATOM 0 HA MET A 51 -6.870 5.907 1.732 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.724 6.550 -0.689 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.243 7.485 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.960 5.409 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.457 4.500 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.032 3.617 -3.011 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.774 3.219 -1.443 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.639 2.853 -2.955 1.00 0.00 H new ATOM 744 N PHE A 52 -4.699 6.930 2.405 1.00 0.00 N ATOM 745 CA PHE A 52 -3.512 7.554 2.973 1.00 0.00 C ATOM 746 C PHE A 52 -2.400 6.521 3.104 1.00 0.00 C ATOM 747 O PHE A 52 -2.674 5.347 3.327 1.00 0.00 O ATOM 748 CB PHE A 52 -3.864 8.156 4.342 1.00 0.00 C ATOM 749 CG PHE A 52 -2.740 8.892 5.018 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.292 10.105 4.522 1.00 0.00 C ATOM 751 CD2 PHE A 52 -2.143 8.376 6.157 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.267 10.789 5.148 1.00 0.00 C ATOM 753 CE2 PHE A 52 -1.115 9.054 6.786 1.00 0.00 C ATOM 754 CZ PHE A 52 -0.676 10.262 6.281 1.00 0.00 C ATOM 0 H PHE A 52 -4.774 5.928 2.583 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.161 8.352 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.703 8.840 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.201 7.354 4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.749 10.521 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.485 7.433 6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.928 11.735 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.656 8.639 7.671 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.127 10.794 6.770 1.00 0.00 H new ATOM 764 N VAL A 53 -1.154 6.948 2.937 1.00 0.00 N ATOM 765 CA VAL A 53 -0.013 6.047 3.081 1.00 0.00 C ATOM 766 C VAL A 53 0.165 5.608 4.538 1.00 0.00 C ATOM 767 O VAL A 53 -0.676 5.904 5.384 1.00 0.00 O ATOM 768 CB VAL A 53 1.291 6.694 2.567 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.227 6.906 1.061 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.552 8.014 3.278 1.00 0.00 C ATOM 0 H VAL A 53 -0.907 7.909 2.702 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.224 5.168 2.472 1.00 0.00 H new ATOM 0 HB VAL A 53 2.116 6.016 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.155 7.363 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.090 5.946 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.390 7.561 0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.476 8.454 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.723 8.697 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.645 7.838 4.350 1.00 0.00 H new ATOM 780 N SER A 54 1.250 4.891 4.818 1.00 0.00 N ATOM 781 CA SER A 54 1.490 4.338 6.148 1.00 0.00 C ATOM 782 C SER A 54 1.355 5.392 7.235 1.00 0.00 C ATOM 783 O SER A 54 2.165 6.315 7.334 1.00 0.00 O ATOM 784 CB SER A 54 2.882 3.723 6.233 1.00 0.00 C ATOM 785 OG SER A 54 3.192 2.979 5.068 1.00 0.00 O ATOM 0 H SER A 54 1.980 4.679 4.138 1.00 0.00 H new ATOM 0 HA SER A 54 0.733 3.571 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.622 4.512 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.942 3.074 7.107 1.00 0.00 H new ATOM 0 HG SER A 54 2.362 2.680 4.640 1.00 0.00 H new ATOM 791 N LYS A 55 0.317 5.252 8.036 1.00 0.00 N ATOM 792 CA LYS A 55 0.110 6.116 9.186 1.00 0.00 C ATOM 793 C LYS A 55 0.944 5.624 10.367 1.00 0.00 C ATOM 794 O LYS A 55 1.263 6.388 11.278 1.00 0.00 O ATOM 795 CB LYS A 55 -1.378 6.130 9.556 1.00 0.00 C ATOM 796 CG LYS A 55 -1.709 6.961 10.790 1.00 0.00 C ATOM 797 CD LYS A 55 -3.186 6.869 11.145 1.00 0.00 C ATOM 798 CE LYS A 55 -3.619 5.431 11.406 1.00 0.00 C ATOM 799 NZ LYS A 55 -2.865 4.806 12.527 1.00 0.00 N ATOM 0 H LYS A 55 -0.404 4.541 7.911 1.00 0.00 H new ATOM 0 HA LYS A 55 0.425 7.129 8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.947 6.515 8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.709 5.105 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.109 6.618 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.441 8.002 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.385 7.474 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.781 7.286 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.685 5.411 11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.475 4.841 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.274 3.875 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.868 4.691 12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.925 5.415 13.368 1.00 0.00 H new ATOM 813 N SER A 56 1.311 4.347 10.335 1.00 0.00 N ATOM 814 CA SER A 56 1.986 3.728 11.476 1.00 0.00 C ATOM 815 C SER A 56 2.978 2.653 11.033 1.00 0.00 C ATOM 816 O SER A 56 3.615 2.002 11.864 1.00 0.00 O ATOM 817 CB SER A 56 0.952 3.096 12.411 1.00 0.00 C ATOM 818 OG SER A 56 -0.337 3.656 12.212 1.00 0.00 O ATOM 0 H SER A 56 1.156 3.724 9.542 1.00 0.00 H new ATOM 0 HA SER A 56 2.538 4.512 11.995 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.913 2.020 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.258 3.243 13.447 1.00 0.00 H new ATOM 0 HG SER A 56 -0.802 3.163 11.504 1.00 0.00 H new ATOM 824 N LEU A 57 3.116 2.475 9.727 1.00 0.00 N ATOM 825 CA LEU A 57 3.927 1.410 9.183 1.00 0.00 C ATOM 826 C LEU A 57 5.286 1.957 8.790 1.00 0.00 C ATOM 827 O LEU A 57 5.742 2.979 9.301 1.00 0.00 O ATOM 828 CB LEU A 57 3.264 0.801 7.936 1.00 0.00 C ATOM 829 CG LEU A 57 1.982 -0.021 8.140 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.200 -1.128 9.150 1.00 0.00 C ATOM 831 CD2 LEU A 57 0.806 0.859 8.527 1.00 0.00 C ATOM 0 H LEU A 57 2.670 3.064 9.024 1.00 0.00 H new ATOM 0 HA LEU A 57 4.033 0.638 9.946 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.035 1.614 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.998 0.162 7.444 1.00 0.00 H new ATOM 0 HG LEU A 57 1.735 -0.485 7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.277 -1.694 9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.988 -1.793 8.797 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.493 -0.695 10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.082 0.241 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.032 1.379 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.623 1.589 7.739 1.00 0.00 H new ATOM 843 N ARG A 58 5.898 1.277 7.853 1.00 0.00 N ATOM 844 CA ARG A 58 7.161 1.706 7.282 1.00 0.00 C ATOM 845 C ARG A 58 6.974 1.895 5.789 1.00 0.00 C ATOM 846 O ARG A 58 6.207 1.161 5.158 1.00 0.00 O ATOM 847 CB ARG A 58 8.275 0.682 7.539 1.00 0.00 C ATOM 848 CG ARG A 58 8.018 -0.662 6.880 1.00 0.00 C ATOM 849 CD ARG A 58 9.261 -1.539 6.851 1.00 0.00 C ATOM 850 NE ARG A 58 9.889 -1.686 8.162 1.00 0.00 N ATOM 851 CZ ARG A 58 10.077 -2.857 8.769 1.00 0.00 C ATOM 852 NH1 ARG A 58 9.555 -3.967 8.262 1.00 0.00 N ATOM 853 NH2 ARG A 58 10.764 -2.910 9.901 1.00 0.00 N ATOM 0 H ARG A 58 5.538 0.407 7.460 1.00 0.00 H new ATOM 0 HA ARG A 58 7.460 2.642 7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.220 1.084 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.385 0.537 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.223 -1.181 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.665 -0.503 5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.994 -2.525 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.983 -1.113 6.155 1.00 0.00 H new ATOM 0 HE ARG A 58 10.202 -0.842 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.006 -3.926 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.702 -4.861 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.147 -2.056 10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.909 -3.805 10.368 1.00 0.00 H new ATOM 867 N CYS A 59 7.651 2.878 5.232 1.00 0.00 N ATOM 868 CA CYS A 59 7.581 3.124 3.808 1.00 0.00 C ATOM 869 C CYS A 59 8.718 4.014 3.361 1.00 0.00 C ATOM 870 O CYS A 59 8.917 5.112 3.889 1.00 0.00 O ATOM 871 CB CYS A 59 6.249 3.751 3.411 1.00 0.00 C ATOM 872 SG CYS A 59 5.792 5.221 4.362 1.00 0.00 S ATOM 0 H CYS A 59 8.256 3.519 5.745 1.00 0.00 H new ATOM 0 HA CYS A 59 7.666 2.158 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.288 4.016 2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.463 3.004 3.523 1.00 0.00 H new ATOM 0 HG CYS A 59 6.865 5.885 4.677 1.00 0.00 H new ATOM 878 N ALA A 60 9.464 3.530 2.391 1.00 0.00 N ATOM 879 CA ALA A 60 10.584 4.285 1.866 1.00 0.00 C ATOM 880 C ALA A 60 11.039 3.755 0.521 1.00 0.00 C ATOM 881 O ALA A 60 10.952 4.438 -0.497 1.00 0.00 O ATOM 882 CB ALA A 60 11.744 4.228 2.848 1.00 0.00 C ATOM 0 H ALA A 60 9.317 2.622 1.951 1.00 0.00 H new ATOM 0 HA ALA A 60 10.255 5.315 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.585 4.796 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.435 4.656 3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.045 3.191 2.996 1.00 0.00 H new ATOM 888 N ASP A 61 11.465 2.510 0.526 1.00 0.00 N ATOM 889 CA ASP A 61 12.297 1.985 -0.546 1.00 0.00 C ATOM 890 C ASP A 61 11.660 0.772 -1.206 1.00 0.00 C ATOM 891 O ASP A 61 11.202 0.837 -2.342 1.00 0.00 O ATOM 892 CB ASP A 61 13.665 1.613 0.033 1.00 0.00 C ATOM 893 CG ASP A 61 14.701 1.263 -1.018 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.617 0.169 -1.604 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.631 2.075 -1.224 1.00 0.00 O ATOM 0 H ASP A 61 11.250 1.837 1.262 1.00 0.00 H new ATOM 0 HA ASP A 61 12.407 2.751 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.035 2.446 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.545 0.765 0.708 1.00 0.00 H new ATOM 900 N ASP A 62 11.612 -0.322 -0.469 1.00 0.00 N ATOM 901 CA ASP A 62 11.136 -1.587 -1.016 1.00 0.00 C ATOM 902 C ASP A 62 9.697 -1.845 -0.597 1.00 0.00 C ATOM 903 O ASP A 62 8.974 -2.607 -1.238 1.00 0.00 O ATOM 904 CB ASP A 62 12.039 -2.733 -0.542 1.00 0.00 C ATOM 905 CG ASP A 62 11.589 -4.094 -1.042 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.771 -4.384 -2.245 1.00 0.00 O ATOM 907 OD2 ASP A 62 11.069 -4.889 -0.228 1.00 0.00 O ATOM 0 H ASP A 62 11.896 -0.364 0.510 1.00 0.00 H new ATOM 0 HA ASP A 62 11.171 -1.531 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.058 -2.548 -0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.061 -2.743 0.548 1.00 0.00 H new ATOM 912 N VAL A 63 9.276 -1.178 0.466 1.00 0.00 N ATOM 913 CA VAL A 63 7.967 -1.425 1.043 1.00 0.00 C ATOM 914 C VAL A 63 7.266 -0.116 1.408 1.00 0.00 C ATOM 915 O VAL A 63 7.919 0.870 1.763 1.00 0.00 O ATOM 916 CB VAL A 63 8.086 -2.319 2.300 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.938 -1.642 3.364 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.715 -2.672 2.852 1.00 0.00 C ATOM 0 H VAL A 63 9.822 -0.462 0.945 1.00 0.00 H new ATOM 0 HA VAL A 63 7.369 -1.940 0.291 1.00 0.00 H new ATOM 0 HB VAL A 63 8.578 -3.246 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.008 -2.288 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.937 -1.458 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.480 -0.695 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.829 -3.301 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.186 -1.759 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.145 -3.210 2.094 1.00 0.00 H new ATOM 928 N ALA A 64 5.941 -0.114 1.278 1.00 0.00 N ATOM 929 CA ALA A 64 5.111 1.007 1.692 1.00 0.00 C ATOM 930 C ALA A 64 3.676 0.543 1.914 1.00 0.00 C ATOM 931 O ALA A 64 3.017 0.098 0.982 1.00 0.00 O ATOM 932 CB ALA A 64 5.141 2.114 0.645 1.00 0.00 C ATOM 0 H ALA A 64 5.415 -0.893 0.881 1.00 0.00 H new ATOM 0 HA ALA A 64 5.509 1.402 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.514 2.943 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.165 2.463 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.765 1.729 -0.303 1.00 0.00 H new ATOM 938 N TYR A 65 3.187 0.626 3.141 1.00 0.00 N ATOM 939 CA TYR A 65 1.810 0.246 3.410 1.00 0.00 C ATOM 940 C TYR A 65 0.881 1.421 3.146 1.00 0.00 C ATOM 941 O TYR A 65 1.261 2.575 3.335 1.00 0.00 O ATOM 942 CB TYR A 65 1.658 -0.236 4.851 1.00 0.00 C ATOM 943 CG TYR A 65 2.457 -1.480 5.161 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.821 -1.407 5.408 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.847 -2.723 5.210 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.556 -2.539 5.691 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.574 -3.860 5.495 1.00 0.00 C ATOM 948 CZ TYR A 65 3.929 -3.764 5.734 1.00 0.00 C ATOM 949 OH TYR A 65 4.660 -4.899 6.006 1.00 0.00 O ATOM 0 H TYR A 65 3.713 0.947 3.954 1.00 0.00 H new ATOM 0 HA TYR A 65 1.540 -0.573 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.967 0.562 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.604 -0.432 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.315 -0.447 5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.786 -2.803 5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.617 -2.465 5.878 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.084 -4.822 5.531 1.00 0.00 H new ATOM 0 HH TYR A 65 4.491 -5.571 5.313 1.00 0.00 H new ATOM 959 N ILE A 66 -0.321 1.124 2.688 1.00 0.00 N ATOM 960 CA ILE A 66 -1.309 2.150 2.398 1.00 0.00 C ATOM 961 C ILE A 66 -2.658 1.768 2.993 1.00 0.00 C ATOM 962 O ILE A 66 -3.164 0.665 2.770 1.00 0.00 O ATOM 963 CB ILE A 66 -1.460 2.388 0.876 1.00 0.00 C ATOM 964 CG1 ILE A 66 -0.139 2.888 0.282 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.577 3.383 0.589 1.00 0.00 C ATOM 966 CD1 ILE A 66 -0.213 3.197 -1.196 1.00 0.00 C ATOM 0 H ILE A 66 -0.640 0.172 2.507 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.959 3.077 2.852 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.720 1.439 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.172 3.786 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.631 2.135 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.663 3.533 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.519 2.995 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.350 4.334 1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.759 3.545 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.493 2.296 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.959 3.973 -1.369 1.00 0.00 H new ATOM 978 N ASN A 67 -3.222 2.683 3.762 1.00 0.00 N ATOM 979 CA ASN A 67 -4.527 2.490 4.369 1.00 0.00 C ATOM 980 C ASN A 67 -5.600 3.034 3.432 1.00 0.00 C ATOM 981 O ASN A 67 -5.696 4.247 3.224 1.00 0.00 O ATOM 982 CB ASN A 67 -4.599 3.216 5.721 1.00 0.00 C ATOM 983 CG ASN A 67 -3.516 2.778 6.697 1.00 0.00 C ATOM 984 OD1 ASN A 67 -2.420 3.339 6.725 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.816 1.782 7.518 1.00 0.00 N ATOM 0 H ASN A 67 -2.789 3.580 3.983 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.691 1.426 4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.515 4.290 5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.576 3.038 6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.130 1.458 8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.733 1.339 7.468 1.00 0.00 H new ATOM 992 N VAL A 68 -6.395 2.148 2.851 1.00 0.00 N ATOM 993 CA VAL A 68 -7.404 2.564 1.889 1.00 0.00 C ATOM 994 C VAL A 68 -8.815 2.267 2.397 1.00 0.00 C ATOM 995 O VAL A 68 -9.070 1.224 3.001 1.00 0.00 O ATOM 996 CB VAL A 68 -7.181 1.891 0.510 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.245 0.375 0.616 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.183 2.402 -0.515 1.00 0.00 C ATOM 0 H VAL A 68 -6.362 1.144 3.027 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.303 3.642 1.766 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.180 2.160 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.085 -0.066 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.472 0.025 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.224 0.078 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.004 1.914 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.195 2.179 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.068 3.480 -0.630 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.714 3.208 2.167 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.113 3.049 2.521 1.00 0.00 C ATOM 1010 C GLU A 69 -11.977 3.253 1.283 1.00 0.00 C ATOM 1011 O GLU A 69 -12.152 4.379 0.812 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.509 4.041 3.621 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.974 3.960 4.020 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.351 4.984 5.070 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.216 6.192 4.801 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.796 4.580 6.169 1.00 0.00 O ATOM 0 H GLU A 69 -9.495 4.103 1.730 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.269 2.041 2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.892 3.860 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.290 5.053 3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.596 4.106 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.188 2.961 4.399 1.00 0.00 H new ATOM 1023 N THR A 70 -12.490 2.155 0.754 1.00 0.00 N ATOM 1024 CA THR A 70 -13.282 2.171 -0.470 1.00 0.00 C ATOM 1025 C THR A 70 -14.584 2.949 -0.282 1.00 0.00 C ATOM 1026 O THR A 70 -14.983 3.235 0.848 1.00 0.00 O ATOM 1027 CB THR A 70 -13.607 0.732 -0.915 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.324 0.052 0.125 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.333 -0.037 -1.237 1.00 0.00 C ATOM 0 H THR A 70 -12.371 1.226 1.159 1.00 0.00 H new ATOM 0 HA THR A 70 -12.690 2.668 -1.238 1.00 0.00 H new ATOM 0 HB THR A 70 -14.221 0.783 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.730 -0.094 0.890 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.588 -1.050 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.798 0.466 -2.042 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.700 -0.079 -0.351 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.250 3.290 -1.387 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.525 4.001 -1.318 1.00 0.00 C ATOM 1039 C LYS A 71 -17.585 3.130 -0.663 1.00 0.00 C ATOM 1040 O LYS A 71 -18.538 3.630 -0.070 1.00 0.00 O ATOM 1041 CB LYS A 71 -16.995 4.437 -2.709 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.211 5.603 -3.287 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.796 6.067 -4.611 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.024 7.249 -5.184 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.108 8.456 -4.317 1.00 0.00 N ATOM 0 H LYS A 71 -14.929 3.086 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.373 4.895 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.920 3.589 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.049 4.711 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.212 6.431 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.172 5.308 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.782 5.243 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.840 6.348 -4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.978 6.969 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.413 7.488 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.715 9.275 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.103 8.642 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.565 8.295 -3.445 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.396 1.822 -0.765 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.272 0.852 -0.125 1.00 0.00 C ATOM 1061 C GLU A 72 -18.030 0.820 1.388 1.00 0.00 C ATOM 1062 O GLU A 72 -18.630 0.021 2.103 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.040 -0.546 -0.718 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.378 -0.678 -2.204 1.00 0.00 C ATOM 1065 CD GLU A 72 -17.378 0.009 -3.124 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -16.271 0.367 -2.657 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -17.692 0.183 -4.320 1.00 0.00 O ATOM 0 H GLU A 72 -16.631 1.404 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.304 1.152 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.995 -0.818 -0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.638 -1.266 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.429 -1.736 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.368 -0.258 -2.381 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.123 1.688 1.848 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.784 1.832 3.266 1.00 0.00 C ATOM 1076 C ARG A 73 -15.939 0.649 3.750 1.00 0.00 C ATOM 1077 O ARG A 73 -15.552 0.579 4.916 1.00 0.00 O ATOM 1078 CB ARG A 73 -18.051 2.016 4.128 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.769 2.296 5.600 1.00 0.00 C ATOM 1080 CD ARG A 73 -16.951 3.568 5.791 1.00 0.00 C ATOM 1081 NE ARG A 73 -17.745 4.780 5.591 1.00 0.00 N ATOM 1082 CZ ARG A 73 -17.294 6.014 5.823 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -16.029 6.218 6.172 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -18.108 7.051 5.683 1.00 0.00 N ATOM 0 H ARG A 73 -16.599 2.316 1.239 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.183 2.734 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.639 2.838 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.663 1.117 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.712 2.387 6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.233 1.452 6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.528 3.576 6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.114 3.566 5.092 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.702 4.675 5.254 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.392 5.427 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.695 7.166 6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.077 6.904 5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.766 7.995 5.860 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.619 -0.262 2.839 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.759 -1.387 3.172 1.00 0.00 C ATOM 1100 C ASN A 74 -13.316 -0.913 3.248 1.00 0.00 C ATOM 1101 O ASN A 74 -12.852 -0.165 2.380 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.896 -2.509 2.142 1.00 0.00 C ATOM 1103 CG ASN A 74 -14.106 -3.742 2.535 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -12.938 -3.882 2.190 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -14.737 -4.639 3.267 1.00 0.00 N ATOM 0 H ASN A 74 -15.940 -0.243 1.871 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.063 -1.786 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.948 -2.773 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.553 -2.153 1.171 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.253 -5.485 3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.710 -4.487 3.534 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.612 -1.342 4.277 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.284 -0.828 4.553 1.00 0.00 C ATOM 1114 C ARG A 75 -10.229 -1.905 4.361 1.00 0.00 C ATOM 1115 O ARG A 75 -10.349 -3.004 4.895 1.00 0.00 O ATOM 1116 CB ARG A 75 -11.250 -0.267 5.974 1.00 0.00 C ATOM 1117 CG ARG A 75 -12.219 0.892 6.159 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.418 1.258 7.619 1.00 0.00 C ATOM 1119 NE ARG A 75 -13.243 2.459 7.753 1.00 0.00 N ATOM 1120 CZ ARG A 75 -14.122 2.669 8.729 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.296 1.772 9.690 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -14.830 3.790 8.738 1.00 0.00 N ATOM 0 H ARG A 75 -12.938 -2.047 4.938 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.055 -0.028 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.495 -1.059 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.239 0.067 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.847 1.762 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.181 0.630 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.891 0.428 8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.450 1.424 8.091 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.136 3.188 7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.753 0.909 9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.973 1.945 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.698 4.482 8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.506 3.960 9.482 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.204 -1.585 3.588 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.131 -2.529 3.312 1.00 0.00 C ATOM 1138 C TYR A 76 -6.790 -1.994 3.793 1.00 0.00 C ATOM 1139 O TYR A 76 -6.523 -0.791 3.732 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.034 -2.834 1.812 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.141 -3.707 1.269 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.320 -4.999 1.739 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -9.991 -3.247 0.269 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -10.316 -5.811 1.233 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -10.993 -4.052 -0.241 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.150 -5.334 0.245 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.146 -6.143 -0.255 1.00 0.00 O ATOM 0 H TYR A 76 -9.091 -0.676 3.139 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.368 -3.446 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.032 -1.892 1.264 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.078 -3.320 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.670 -5.377 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.867 -2.245 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.441 -6.815 1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.648 -3.680 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.646 -5.658 -0.944 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.961 -2.896 4.286 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.585 -2.574 4.613 1.00 0.00 C ATOM 1159 C CYS A 77 -3.685 -3.159 3.533 1.00 0.00 C ATOM 1160 O CYS A 77 -3.536 -4.379 3.428 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.223 -3.134 5.990 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.613 -2.609 6.622 1.00 0.00 S ATOM 0 H CYS A 77 -6.220 -3.865 4.470 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.450 -1.493 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.992 -2.835 6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.241 -4.223 5.940 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.174 -3.488 7.474 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.121 -2.295 2.706 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.363 -2.746 1.553 1.00 0.00 C ATOM 1170 C LEU A 78 -0.866 -2.627 1.787 1.00 0.00 C ATOM 1171 O LEU A 78 -0.376 -1.602 2.247 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.758 -1.947 0.309 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.230 -2.054 -0.089 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.509 -1.215 -1.320 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.613 -3.502 -0.343 1.00 0.00 C ATOM 0 H LEU A 78 -3.174 -1.282 2.811 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.599 -3.798 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.519 -0.897 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.146 -2.282 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.834 -1.676 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.562 -1.303 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.274 -0.172 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.892 -1.566 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.665 -3.556 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.000 -3.904 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.450 -4.086 0.563 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.155 -3.695 1.479 1.00 0.00 N ATOM 1188 CA GLU A 79 1.294 -3.706 1.511 1.00 0.00 C ATOM 1189 C GLU A 79 1.823 -3.519 0.095 1.00 0.00 C ATOM 1190 O GLU A 79 1.809 -4.448 -0.714 1.00 0.00 O ATOM 1191 CB GLU A 79 1.792 -5.030 2.098 1.00 0.00 C ATOM 1192 CG GLU A 79 3.302 -5.125 2.239 1.00 0.00 C ATOM 1193 CD GLU A 79 3.744 -6.463 2.799 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.829 -7.438 2.024 1.00 0.00 O ATOM 1195 OE2 GLU A 79 3.990 -6.551 4.020 1.00 0.00 O ATOM 0 H GLU A 79 -0.569 -4.584 1.198 1.00 0.00 H new ATOM 0 HA GLU A 79 1.656 -2.893 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.338 -5.172 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.446 -5.847 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.766 -4.970 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.655 -4.326 2.891 1.00 0.00 H new ATOM 1202 N LEU A 80 2.238 -2.305 -0.218 1.00 0.00 N ATOM 1203 CA LEU A 80 2.765 -2.002 -1.535 1.00 0.00 C ATOM 1204 C LEU A 80 4.254 -2.296 -1.584 1.00 0.00 C ATOM 1205 O LEU A 80 5.047 -1.684 -0.866 1.00 0.00 O ATOM 1206 CB LEU A 80 2.495 -0.537 -1.907 1.00 0.00 C ATOM 1207 CG LEU A 80 3.149 -0.060 -3.207 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.660 -0.876 -4.390 1.00 0.00 C ATOM 1209 CD2 LEU A 80 2.867 1.416 -3.427 1.00 0.00 C ATOM 0 H LEU A 80 2.220 -1.512 0.423 1.00 0.00 H new ATOM 0 HA LEU A 80 2.258 -2.636 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.418 -0.393 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.842 0.097 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 80 4.226 -0.202 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.139 -0.518 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.911 -1.926 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.579 -0.771 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.338 1.742 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.791 1.575 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.270 1.992 -2.594 1.00 0.00 H new ATOM 1221 N THR A 81 4.616 -3.261 -2.406 1.00 0.00 N ATOM 1222 CA THR A 81 6.005 -3.598 -2.632 1.00 0.00 C ATOM 1223 C THR A 81 6.304 -3.493 -4.118 1.00 0.00 C ATOM 1224 O THR A 81 5.413 -3.175 -4.906 1.00 0.00 O ATOM 1225 CB THR A 81 6.329 -5.021 -2.131 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.369 -5.958 -2.648 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.335 -5.075 -0.612 1.00 0.00 C ATOM 0 H THR A 81 3.956 -3.832 -2.934 1.00 0.00 H new ATOM 0 HA THR A 81 6.628 -2.900 -2.072 1.00 0.00 H new ATOM 0 HB THR A 81 7.323 -5.288 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.584 -6.858 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.566 -6.089 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.089 -4.389 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.354 -4.786 -0.234 1.00 0.00 H new ATOM 1235 N GLU A 82 7.536 -3.777 -4.511 1.00 0.00 N ATOM 1236 CA GLU A 82 7.906 -3.732 -5.919 1.00 0.00 C ATOM 1237 C GLU A 82 7.244 -4.898 -6.658 1.00 0.00 C ATOM 1238 O GLU A 82 7.147 -4.908 -7.885 1.00 0.00 O ATOM 1239 CB GLU A 82 9.436 -3.760 -6.055 1.00 0.00 C ATOM 1240 CG GLU A 82 9.965 -3.412 -7.442 1.00 0.00 C ATOM 1241 CD GLU A 82 10.209 -4.634 -8.302 1.00 0.00 C ATOM 1242 OE1 GLU A 82 10.808 -5.605 -7.794 1.00 0.00 O ATOM 1243 OE2 GLU A 82 9.815 -4.633 -9.488 1.00 0.00 O ATOM 0 H GLU A 82 8.293 -4.040 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 82 7.552 -2.805 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.863 -3.063 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.792 -4.754 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.252 -2.757 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.895 -2.853 -7.341 1.00 0.00 H new ATOM 1250 N ALA A 83 6.759 -5.866 -5.888 1.00 0.00 N ATOM 1251 CA ALA A 83 6.036 -7.001 -6.441 1.00 0.00 C ATOM 1252 C ALA A 83 4.579 -6.634 -6.714 1.00 0.00 C ATOM 1253 O ALA A 83 3.907 -7.280 -7.520 1.00 0.00 O ATOM 1254 CB ALA A 83 6.115 -8.188 -5.491 1.00 0.00 C ATOM 0 H ALA A 83 6.855 -5.885 -4.873 1.00 0.00 H new ATOM 0 HA ALA A 83 6.501 -7.277 -7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.570 -9.031 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.158 -8.467 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.673 -7.917 -4.532 1.00 0.00 H new ATOM 1260 N GLY A 84 4.098 -5.593 -6.046 1.00 0.00 N ATOM 1261 CA GLY A 84 2.727 -5.164 -6.230 1.00 0.00 C ATOM 1262 C GLY A 84 2.038 -4.822 -4.921 1.00 0.00 C ATOM 1263 O GLY A 84 2.684 -4.732 -3.872 1.00 0.00 O ATOM 0 H GLY A 84 4.635 -5.038 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.708 -4.292 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.169 -5.953 -6.734 1.00 0.00 H new ATOM 1267 N LEU A 85 0.724 -4.646 -4.985 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.078 -4.315 -3.816 1.00 0.00 C ATOM 1269 C LEU A 85 -0.697 -5.582 -3.248 1.00 0.00 C ATOM 1270 O LEU A 85 -1.438 -6.284 -3.940 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.200 -3.322 -4.166 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.762 -1.943 -4.679 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.265 -2.018 -6.114 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.913 -0.955 -4.576 1.00 0.00 C ATOM 0 H LEU A 85 0.186 -4.729 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 85 0.578 -3.850 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.837 -3.780 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.815 -3.176 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 85 0.063 -1.600 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.037 -1.025 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.588 -2.694 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.064 -2.388 -6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.590 0.019 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.751 -1.309 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.224 -0.866 -3.535 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.397 -5.864 -1.991 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.863 -7.079 -1.337 1.00 0.00 C ATOM 1288 C LYS A 86 -1.853 -6.736 -0.229 1.00 0.00 C ATOM 1289 O LYS A 86 -1.686 -5.741 0.466 1.00 0.00 O ATOM 1290 CB LYS A 86 0.340 -7.819 -0.747 1.00 0.00 C ATOM 1291 CG LYS A 86 -0.001 -9.126 -0.049 1.00 0.00 C ATOM 1292 CD LYS A 86 1.138 -9.572 0.857 1.00 0.00 C ATOM 1293 CE LYS A 86 2.429 -9.787 0.081 1.00 0.00 C ATOM 1294 NZ LYS A 86 3.611 -9.822 0.979 1.00 0.00 N ATOM 0 H LYS A 86 0.173 -5.262 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.366 -7.713 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.052 -8.024 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.841 -7.162 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.911 -9.002 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.203 -9.898 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.301 -8.823 1.632 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.859 -10.497 1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.367 -10.722 -0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.551 -8.988 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.385 -10.338 0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.918 -8.850 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.359 -10.302 1.866 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.889 -7.543 -0.071 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.842 -7.343 1.013 1.00 0.00 C ATOM 1310 C VAL A 87 -3.346 -8.043 2.274 1.00 0.00 C ATOM 1311 O VAL A 87 -3.278 -9.268 2.316 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.243 -7.882 0.648 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.242 -7.589 1.760 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.718 -7.295 -0.674 1.00 0.00 C ATOM 0 H VAL A 87 -3.093 -8.339 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.924 -6.270 1.187 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.172 -8.964 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.221 -7.978 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.911 -8.067 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.309 -6.512 1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.706 -7.688 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.769 -6.209 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.019 -7.567 -1.465 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.979 -7.269 3.289 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.460 -7.846 4.526 1.00 0.00 C ATOM 1326 C VAL A 88 -3.454 -7.715 5.675 1.00 0.00 C ATOM 1327 O VAL A 88 -3.196 -8.184 6.782 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.115 -7.213 4.943 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.034 -7.546 3.928 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.249 -5.706 5.110 1.00 0.00 C ATOM 0 H VAL A 88 -3.030 -6.250 3.282 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.299 -8.903 4.317 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.827 -7.633 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.908 -7.092 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.087 -8.628 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.320 -7.157 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.287 -5.286 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.566 -5.262 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.990 -5.490 5.880 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.590 -7.085 5.414 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.589 -6.930 6.450 1.00 0.00 C ATOM 1342 C GLY A 89 -6.855 -6.270 5.950 1.00 0.00 C ATOM 1343 O GLY A 89 -6.835 -5.535 4.963 1.00 0.00 O ATOM 0 H GLY A 89 -4.836 -6.681 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.834 -7.909 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.173 -6.337 7.264 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.956 -6.535 6.644 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.250 -5.941 6.319 1.00 0.00 C ATOM 1349 C TYR A 90 -9.579 -4.807 7.284 1.00 0.00 C ATOM 1350 O TYR A 90 -10.743 -4.452 7.477 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.348 -7.005 6.368 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.417 -7.878 5.136 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -9.533 -8.933 4.947 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -11.378 -7.644 4.161 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -9.604 -9.728 3.818 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -11.456 -8.433 3.032 1.00 0.00 C ATOM 1357 CZ TYR A 90 -10.569 -9.473 2.863 1.00 0.00 C ATOM 1358 OH TYR A 90 -10.650 -10.261 1.739 1.00 0.00 O ATOM 0 H TYR A 90 -7.978 -7.165 7.446 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.196 -5.533 5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.187 -7.638 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.311 -6.512 6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.779 -9.135 5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.076 -6.830 4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -8.909 -10.544 3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.209 -8.236 2.284 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.384 -9.946 1.171 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.541 -4.248 7.884 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.685 -3.121 8.790 1.00 0.00 C ATOM 1370 C ALA A 91 -7.426 -2.272 8.751 1.00 0.00 C ATOM 1371 O ALA A 91 -6.396 -2.710 8.236 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.965 -3.598 10.209 1.00 0.00 C ATOM 0 H ALA A 91 -7.579 -4.561 7.757 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.533 -2.517 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.069 -2.736 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.887 -4.179 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.139 -4.221 10.553 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.503 -1.062 9.283 1.00 0.00 N ATOM 1379 CA PHE A 92 -6.357 -0.164 9.276 1.00 0.00 C ATOM 1380 C PHE A 92 -5.274 -0.656 10.225 1.00 0.00 C ATOM 1381 O PHE A 92 -5.564 -1.058 11.354 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.768 1.260 9.658 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.674 1.926 8.659 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.395 1.874 7.301 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.792 2.622 9.083 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.217 2.504 6.385 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.621 3.252 8.172 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.333 3.194 6.821 1.00 0.00 C ATOM 0 H PHE A 92 -8.341 -0.680 9.722 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.959 -0.153 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.268 1.235 10.626 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.870 1.866 9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.525 1.335 6.955 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -9.020 2.674 10.137 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.988 2.457 5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.493 3.789 8.516 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.978 3.686 6.108 1.00 0.00 H new ATOM 1398 N ASP A 93 -4.033 -0.645 9.739 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.863 -0.991 10.549 1.00 0.00 C ATOM 1400 C ASP A 93 -2.889 -2.458 10.962 1.00 0.00 C ATOM 1401 O ASP A 93 -2.314 -2.845 11.983 1.00 0.00 O ATOM 1402 CB ASP A 93 -2.777 -0.093 11.790 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.491 1.353 11.446 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -1.378 1.640 10.962 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -3.365 2.214 11.677 1.00 0.00 O ATOM 0 H ASP A 93 -3.810 -0.397 8.775 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.977 -0.827 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.715 -0.152 12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.994 -0.467 12.450 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.533 -3.275 10.143 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.632 -4.699 10.408 1.00 0.00 C ATOM 1412 C GLN A 94 -2.831 -5.482 9.382 1.00 0.00 C ATOM 1413 O GLN A 94 -3.153 -5.480 8.194 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.093 -5.160 10.396 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.258 -6.642 10.704 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.697 -7.109 10.635 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.628 -6.349 10.894 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -6.888 -8.372 10.286 1.00 0.00 N ATOM 0 H GLN A 94 -3.996 -2.973 9.286 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.222 -4.887 11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.656 -4.579 11.126 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.526 -4.949 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.661 -7.221 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.864 -6.846 11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.088 -8.970 10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.835 -8.746 10.224 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.770 -6.117 9.844 1.00 0.00 N ATOM 1428 CA VAL A 95 -0.985 -7.000 9.004 1.00 0.00 C ATOM 1429 C VAL A 95 -1.042 -8.412 9.565 1.00 0.00 C ATOM 1430 O VAL A 95 -0.357 -8.738 10.539 1.00 0.00 O ATOM 1431 CB VAL A 95 0.486 -6.539 8.889 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.289 -7.507 8.032 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.559 -5.138 8.307 1.00 0.00 C ATOM 0 H VAL A 95 -1.431 -6.036 10.803 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.412 -6.976 8.002 1.00 0.00 H new ATOM 0 HB VAL A 95 0.918 -6.525 9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.321 -7.163 7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.266 -8.499 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.856 -7.554 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.602 -4.829 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.107 -5.132 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.021 -4.446 8.955 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.891 -9.228 8.972 1.00 0.00 N ATOM 1444 CA ASP A 96 -2.092 -10.594 9.423 1.00 0.00 C ATOM 1445 C ASP A 96 -1.268 -11.556 8.577 1.00 0.00 C ATOM 1446 O ASP A 96 -1.347 -11.542 7.351 1.00 0.00 O ATOM 1447 CB ASP A 96 -3.579 -10.951 9.357 1.00 0.00 C ATOM 1448 CG ASP A 96 -3.848 -12.385 9.750 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -4.030 -12.660 10.954 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -3.872 -13.247 8.859 1.00 0.00 O ATOM 0 H ASP A 96 -2.460 -8.966 8.167 1.00 0.00 H new ATOM 0 HA ASP A 96 -1.760 -10.680 10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.138 -10.286 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.946 -10.780 8.345 1.00 0.00 H new ATOM 1455 N ASP A 97 -0.475 -12.392 9.240 1.00 0.00 N ATOM 1456 CA ASP A 97 0.452 -13.282 8.540 1.00 0.00 C ATOM 1457 C ASP A 97 -0.226 -14.582 8.110 1.00 0.00 C ATOM 1458 O ASP A 97 0.427 -15.488 7.590 1.00 0.00 O ATOM 1459 CB ASP A 97 1.668 -13.603 9.417 1.00 0.00 C ATOM 1460 CG ASP A 97 1.320 -14.457 10.621 1.00 0.00 C ATOM 1461 OD1 ASP A 97 1.373 -15.697 10.514 1.00 0.00 O ATOM 1462 OD2 ASP A 97 1.007 -13.887 11.687 1.00 0.00 O ATOM 0 H ASP A 97 -0.454 -12.474 10.257 1.00 0.00 H new ATOM 0 HA ASP A 97 0.783 -12.756 7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.417 -14.119 8.816 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.120 -12.671 9.757 1.00 0.00 H new ATOM 1467 N HIS A 98 -1.532 -14.673 8.318 1.00 0.00 N ATOM 1468 CA HIS A 98 -2.281 -15.858 7.919 1.00 0.00 C ATOM 1469 C HIS A 98 -2.853 -15.647 6.526 1.00 0.00 C ATOM 1470 O HIS A 98 -3.114 -16.603 5.795 1.00 0.00 O ATOM 1471 CB HIS A 98 -3.413 -16.161 8.908 1.00 0.00 C ATOM 1472 CG HIS A 98 -2.972 -16.207 10.336 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -3.180 -15.173 11.220 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -2.336 -17.174 11.037 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -2.686 -15.495 12.397 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -2.169 -16.707 12.317 1.00 0.00 N ATOM 0 H HIS A 98 -2.094 -13.944 8.759 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.602 -16.711 7.916 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.188 -15.402 8.801 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -3.865 -17.118 8.646 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -3.645 -14.293 10.998 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.019 -18.135 10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -2.701 -14.872 13.279 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.045 -14.382 6.171 1.00 0.00 N ATOM 1486 CA LEU A 99 -3.523 -14.023 4.846 1.00 0.00 C ATOM 1487 C LEU A 99 -2.471 -14.308 3.789 1.00 0.00 C ATOM 1488 O LEU A 99 -1.326 -13.867 3.887 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.925 -12.546 4.793 1.00 0.00 C ATOM 1490 CG LEU A 99 -5.290 -12.218 5.398 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.508 -10.715 5.433 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.398 -12.898 4.608 1.00 0.00 C ATOM 0 H LEU A 99 -2.876 -13.587 6.787 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.400 -14.635 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.166 -11.961 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.920 -12.222 3.752 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.314 -12.594 6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.484 -10.499 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.731 -10.249 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.465 -10.317 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.363 -12.654 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.375 -12.550 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.251 -13.978 4.630 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.865 -15.073 2.793 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.015 -15.345 1.648 1.00 0.00 C ATOM 1506 C GLN A 100 -2.652 -14.730 0.412 1.00 0.00 C ATOM 1507 O GLN A 100 -2.447 -15.189 -0.712 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.835 -16.854 1.472 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.154 -17.529 2.654 1.00 0.00 C ATOM 1510 CD GLN A 100 0.300 -17.123 2.809 1.00 0.00 C ATOM 1511 OE1 GLN A 100 1.196 -17.767 2.264 1.00 0.00 O ATOM 1512 NE2 GLN A 100 0.551 -16.044 3.537 1.00 0.00 N ATOM 0 H GLN A 100 -3.779 -15.523 2.752 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.029 -14.906 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.812 -17.312 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.249 -17.039 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.694 -17.282 3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.213 -18.611 2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.216 -15.534 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.512 -15.724 3.660 1.00 0.00 H new ATOM 1521 N THR A 101 -3.429 -13.680 0.658 1.00 0.00 N ATOM 1522 CA THR A 101 -4.183 -12.976 -0.366 1.00 0.00 C ATOM 1523 C THR A 101 -3.290 -12.516 -1.520 1.00 0.00 C ATOM 1524 O THR A 101 -2.283 -11.834 -1.310 1.00 0.00 O ATOM 1525 CB THR A 101 -4.890 -11.772 0.277 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.375 -11.588 1.604 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.394 -11.993 0.350 1.00 0.00 C ATOM 0 H THR A 101 -3.553 -13.290 1.592 1.00 0.00 H new ATOM 0 HA THR A 101 -4.918 -13.662 -0.788 1.00 0.00 H new ATOM 0 HB THR A 101 -4.703 -10.889 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.187 -10.638 1.753 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.867 -11.125 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.790 -12.133 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.603 -12.880 0.949 1.00 0.00 H new ATOM 1535 N PRO A 102 -3.653 -12.901 -2.756 1.00 0.00 N ATOM 1536 CA PRO A 102 -2.863 -12.596 -3.952 1.00 0.00 C ATOM 1537 C PRO A 102 -2.715 -11.100 -4.196 1.00 0.00 C ATOM 1538 O PRO A 102 -3.682 -10.340 -4.113 1.00 0.00 O ATOM 1539 CB PRO A 102 -3.657 -13.243 -5.094 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.036 -13.417 -4.556 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.869 -13.663 -3.084 1.00 0.00 C ATOM 0 HA PRO A 102 -1.844 -12.970 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.657 -12.611 -5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.223 -14.200 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.642 -12.530 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.542 -14.254 -5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.731 -13.312 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.752 -14.724 -2.863 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.498 -10.686 -4.508 1.00 0.00 N ATOM 1550 CA TYR A 103 -1.213 -9.289 -4.784 1.00 0.00 C ATOM 1551 C TYR A 103 -1.390 -8.983 -6.266 1.00 0.00 C ATOM 1552 O TYR A 103 -1.374 -9.882 -7.104 1.00 0.00 O ATOM 1553 CB TYR A 103 0.207 -8.927 -4.325 1.00 0.00 C ATOM 1554 CG TYR A 103 1.281 -9.889 -4.783 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.843 -9.786 -6.051 1.00 0.00 C ATOM 1556 CD2 TYR A 103 1.736 -10.897 -3.944 1.00 0.00 C ATOM 1557 CE1 TYR A 103 2.828 -10.664 -6.467 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.720 -11.776 -4.350 1.00 0.00 C ATOM 1559 CZ TYR A 103 3.261 -11.659 -5.612 1.00 0.00 C ATOM 1560 OH TYR A 103 4.242 -12.539 -6.019 1.00 0.00 O ATOM 0 H TYR A 103 -0.688 -11.302 -4.577 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.922 -8.680 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.450 -7.930 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.221 -8.878 -3.236 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.505 -9.009 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.312 -10.995 -2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.256 -10.572 -7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.064 -12.552 -3.682 1.00 0.00 H new ATOM 0 HH TYR A 103 4.431 -13.175 -5.298 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.574 -7.709 -6.573 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.734 -7.257 -7.950 1.00 0.00 C ATOM 1572 C HIS A 104 -0.683 -6.199 -8.255 1.00 0.00 C ATOM 1573 O HIS A 104 -0.371 -5.383 -7.396 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.137 -6.680 -8.174 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.243 -7.693 -8.053 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -5.005 -8.111 -9.123 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.734 -8.350 -6.972 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.908 -8.981 -8.710 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.765 -9.141 -7.410 1.00 0.00 N ATOM 0 H HIS A 104 -1.617 -6.961 -5.881 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.606 -8.108 -8.619 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.309 -5.881 -7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.179 -6.229 -9.165 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.379 -8.266 -5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.639 -9.477 -9.331 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.330 -9.755 -6.824 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.148 -6.207 -9.470 1.00 0.00 N ATOM 1589 CA GLU A 105 0.953 -5.315 -9.826 1.00 0.00 C ATOM 1590 C GLU A 105 0.540 -3.847 -9.733 1.00 0.00 C ATOM 1591 O GLU A 105 1.200 -3.049 -9.068 1.00 0.00 O ATOM 1592 CB GLU A 105 1.464 -5.627 -11.236 1.00 0.00 C ATOM 1593 CG GLU A 105 2.597 -4.715 -11.683 1.00 0.00 C ATOM 1594 CD GLU A 105 3.103 -5.043 -13.071 1.00 0.00 C ATOM 1595 OE1 GLU A 105 2.417 -4.701 -14.055 1.00 0.00 O ATOM 1596 OE2 GLU A 105 4.188 -5.653 -13.183 1.00 0.00 O ATOM 0 H GLU A 105 -0.457 -6.819 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 105 1.756 -5.486 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.805 -6.662 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.638 -5.540 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.254 -3.681 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.421 -4.793 -10.973 1.00 0.00 H new ATOM 1603 N THR A 106 -0.552 -3.492 -10.390 1.00 0.00 N ATOM 1604 CA THR A 106 -0.986 -2.107 -10.416 1.00 0.00 C ATOM 1605 C THR A 106 -2.213 -1.906 -9.539 1.00 0.00 C ATOM 1606 O THR A 106 -3.006 -2.831 -9.343 1.00 0.00 O ATOM 1607 CB THR A 106 -1.296 -1.638 -11.853 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.275 -2.494 -12.455 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.032 -1.623 -12.705 1.00 0.00 C ATOM 0 H THR A 106 -1.149 -4.137 -10.908 1.00 0.00 H new ATOM 0 HA THR A 106 -0.165 -1.506 -10.025 1.00 0.00 H new ATOM 0 HB THR A 106 -1.691 -0.623 -11.799 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.429 -2.214 -13.381 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.277 -1.289 -13.713 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.696 -0.942 -12.264 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.390 -2.627 -12.748 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.364 -0.695 -9.009 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.522 -0.355 -8.193 1.00 0.00 C ATOM 1619 C VAL A 107 -4.803 -0.432 -9.021 1.00 0.00 C ATOM 1620 O VAL A 107 -5.879 -0.715 -8.497 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.384 1.055 -7.568 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.268 2.129 -8.643 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.550 1.345 -6.630 1.00 0.00 C ATOM 0 H VAL A 107 -1.697 0.067 -9.131 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.574 -1.082 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.464 1.073 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.173 3.107 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.389 1.935 -9.258 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.159 2.114 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.433 2.341 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.486 1.297 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.566 0.605 -5.830 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.670 -0.201 -10.322 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.806 -0.257 -11.232 1.00 0.00 C ATOM 1635 C TYR A 108 -6.376 -1.669 -11.273 1.00 0.00 C ATOM 1636 O TYR A 108 -7.555 -1.882 -10.997 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.384 0.187 -12.637 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.785 1.577 -12.671 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.599 2.700 -12.738 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.409 1.766 -12.625 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.060 3.972 -12.757 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.862 3.035 -12.639 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.693 4.135 -12.706 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.152 5.400 -12.713 1.00 0.00 O ATOM 0 H TYR A 108 -3.783 0.028 -10.771 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.578 0.422 -10.870 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.658 -0.524 -13.032 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.252 0.157 -13.296 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.671 2.577 -12.776 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.756 0.907 -12.578 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.707 4.835 -12.812 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.791 3.165 -12.598 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.829 6.047 -12.424 1.00 0.00 H new ATOM 1654 N SER A 109 -5.515 -2.635 -11.563 1.00 0.00 N ATOM 1655 CA SER A 109 -5.929 -4.027 -11.662 1.00 0.00 C ATOM 1656 C SER A 109 -6.242 -4.620 -10.284 1.00 0.00 C ATOM 1657 O SER A 109 -6.629 -5.782 -10.175 1.00 0.00 O ATOM 1658 CB SER A 109 -4.838 -4.844 -12.356 1.00 0.00 C ATOM 1659 OG SER A 109 -4.502 -4.285 -13.618 1.00 0.00 O ATOM 0 H SER A 109 -4.522 -2.479 -11.734 1.00 0.00 H new ATOM 0 HA SER A 109 -6.843 -4.068 -12.254 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.951 -4.882 -11.724 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.178 -5.871 -12.489 1.00 0.00 H new ATOM 0 HG SER A 109 -3.772 -3.641 -13.507 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.046 -3.834 -9.234 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.414 -4.252 -7.891 1.00 0.00 C ATOM 1667 C LEU A 110 -7.781 -3.696 -7.501 1.00 0.00 C ATOM 1668 O LEU A 110 -8.712 -4.447 -7.220 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.363 -3.791 -6.878 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.709 -4.073 -5.412 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.729 -5.570 -5.140 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.728 -3.375 -4.488 1.00 0.00 C ATOM 0 H LEU A 110 -5.634 -2.903 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.464 -5.341 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.416 -4.278 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.209 -2.719 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.706 -3.679 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.977 -5.746 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.477 -6.045 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.748 -5.992 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.990 -3.587 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.719 -3.736 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.769 -2.299 -4.660 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.894 -2.376 -7.514 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.058 -1.688 -6.968 1.00 0.00 C ATOM 1686 C LEU A 111 -10.282 -1.849 -7.873 1.00 0.00 C ATOM 1687 O LEU A 111 -11.418 -1.723 -7.418 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.727 -0.202 -6.777 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.514 0.519 -5.679 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.142 -0.021 -4.303 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.257 2.016 -5.740 1.00 0.00 C ATOM 0 H LEU A 111 -7.186 -1.753 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.303 -2.136 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.664 -0.111 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.901 0.314 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.576 0.336 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.713 0.506 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.369 -1.086 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.077 0.130 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.823 2.515 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.193 2.209 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.570 2.400 -6.711 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.048 -2.199 -9.137 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.125 -2.291 -10.128 1.00 0.00 C ATOM 1705 C ASP A 112 -11.779 -3.636 -9.964 1.00 0.00 C ATOM 1706 O ASP A 112 -12.923 -3.872 -10.343 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.549 -2.144 -11.540 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.598 -2.248 -12.625 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.382 -1.292 -12.797 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.640 -3.283 -13.323 1.00 0.00 O ATOM 0 H ASP A 112 -9.122 -2.424 -9.501 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.856 -1.496 -9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.045 -1.181 -11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.793 -2.913 -11.699 1.00 0.00 H new ATOM 1715 N THR A 113 -11.015 -4.497 -9.345 1.00 0.00 N ATOM 1716 CA THR A 113 -11.413 -5.841 -9.065 1.00 0.00 C ATOM 1717 C THR A 113 -12.136 -5.903 -7.717 1.00 0.00 C ATOM 1718 O THR A 113 -12.848 -6.864 -7.419 1.00 0.00 O ATOM 1719 CB THR A 113 -10.153 -6.715 -9.047 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.410 -6.498 -10.253 1.00 0.00 O ATOM 1721 CG2 THR A 113 -10.500 -8.173 -8.930 1.00 0.00 C ATOM 0 H THR A 113 -10.076 -4.272 -9.016 1.00 0.00 H new ATOM 0 HA THR A 113 -12.101 -6.203 -9.829 1.00 0.00 H new ATOM 0 HB THR A 113 -9.555 -6.437 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.481 -6.278 -10.030 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.585 -8.765 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 113 -11.052 -8.343 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.115 -8.470 -9.780 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.980 -4.847 -6.921 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.527 -4.822 -5.572 1.00 0.00 C ATOM 1731 C LEU A 114 -13.825 -4.027 -5.517 1.00 0.00 C ATOM 1732 O LEU A 114 -14.877 -4.567 -5.167 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.508 -4.220 -4.600 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.187 -4.985 -4.487 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.218 -4.246 -3.576 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.426 -6.398 -3.975 1.00 0.00 C ATOM 0 H LEU A 114 -11.479 -4.000 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.743 -5.849 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.292 -3.198 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.963 -4.163 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.745 -5.051 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.285 -4.805 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.019 -3.255 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.656 -4.148 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.474 -6.924 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.893 -6.354 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.082 -6.929 -4.665 1.00 0.00 H new ATOM 1748 N SER A 115 -13.751 -2.754 -5.880 1.00 0.00 N ATOM 1749 CA SER A 115 -14.889 -1.857 -5.747 1.00 0.00 C ATOM 1750 C SER A 115 -15.588 -1.617 -7.080 1.00 0.00 C ATOM 1751 O SER A 115 -14.959 -1.234 -8.068 1.00 0.00 O ATOM 1752 CB SER A 115 -14.437 -0.523 -5.160 1.00 0.00 C ATOM 1753 OG SER A 115 -14.016 -0.673 -3.819 1.00 0.00 O ATOM 0 H SER A 115 -12.914 -2.320 -6.269 1.00 0.00 H new ATOM 0 HA SER A 115 -15.603 -2.336 -5.077 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.620 -0.117 -5.757 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.255 0.195 -5.209 1.00 0.00 H new ATOM 0 HG SER A 115 -14.765 -0.478 -3.217 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.909 -1.836 -7.120 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.731 -1.489 -8.277 1.00 0.00 C ATOM 1761 C PRO A 116 -17.789 0.024 -8.488 1.00 0.00 C ATOM 1762 O PRO A 116 -17.852 0.504 -9.621 1.00 0.00 O ATOM 1763 CB PRO A 116 -19.117 -2.034 -7.919 1.00 0.00 C ATOM 1764 CG PRO A 116 -19.115 -2.154 -6.435 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.700 -2.461 -6.045 1.00 0.00 C ATOM 0 HA PRO A 116 -17.334 -1.903 -9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.905 -1.362 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -19.295 -3.000 -8.392 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.456 -1.230 -5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.790 -2.944 -6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.452 -2.044 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.523 -3.535 -5.987 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.742 0.769 -7.381 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.790 2.226 -7.434 1.00 0.00 C ATOM 1775 C ALA A 117 -16.511 2.797 -8.034 1.00 0.00 C ATOM 1776 O ALA A 117 -16.495 3.929 -8.522 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.035 2.802 -6.048 1.00 0.00 C ATOM 0 H ALA A 117 -17.671 0.384 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.620 2.512 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.068 3.890 -6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.984 2.431 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.229 2.499 -5.380 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.442 2.003 -8.011 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.180 2.410 -8.609 1.00 0.00 C ATOM 1785 C TYR A 118 -14.364 2.705 -10.091 1.00 0.00 C ATOM 1786 O TYR A 118 -14.181 3.833 -10.534 1.00 0.00 O ATOM 1787 CB TYR A 118 -13.109 1.330 -8.430 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.842 1.603 -9.218 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.853 2.431 -8.710 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.644 1.043 -10.476 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.703 2.697 -9.429 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.495 1.301 -11.200 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.529 2.128 -10.673 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.387 2.392 -11.390 1.00 0.00 O ATOM 0 H TYR A 118 -15.428 1.077 -7.585 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.849 3.315 -8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.860 1.248 -7.372 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.519 0.368 -8.737 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.983 2.876 -7.735 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -12.401 0.396 -10.894 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.945 3.347 -9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.356 0.856 -12.174 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.278 1.717 -12.092 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.750 1.684 -10.847 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.901 1.813 -12.291 1.00 0.00 C ATOM 1806 C ARG A 119 -16.062 2.740 -12.637 1.00 0.00 C ATOM 1807 O ARG A 119 -16.120 3.296 -13.735 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.098 0.440 -12.940 1.00 0.00 C ATOM 1809 CG ARG A 119 -16.208 -0.390 -12.315 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.664 -1.509 -11.445 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.741 -2.357 -12.187 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.012 -3.598 -12.585 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -16.198 -4.145 -12.344 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.089 -4.297 -13.232 1.00 0.00 N ATOM 0 H ARG A 119 -14.965 0.756 -10.483 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.986 2.252 -12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.315 0.579 -13.999 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -14.163 -0.117 -12.877 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -16.849 0.256 -11.715 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -16.831 -0.814 -13.103 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.155 -1.085 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -16.489 -2.111 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.824 -1.974 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.914 -3.613 -11.849 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.393 -5.097 -12.654 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.176 -3.883 -13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.292 -5.248 -13.539 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.975 2.904 -11.690 1.00 0.00 N ATOM 1829 CA GLU A 120 -18.084 3.831 -11.845 1.00 0.00 C ATOM 1830 C GLU A 120 -17.552 5.260 -11.951 1.00 0.00 C ATOM 1831 O GLU A 120 -17.881 5.990 -12.885 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.042 3.714 -10.656 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.353 4.458 -10.845 1.00 0.00 C ATOM 1834 CD GLU A 120 -21.217 3.839 -11.922 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -22.000 2.918 -11.602 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -21.125 4.272 -13.089 1.00 0.00 O ATOM 0 H GLU A 120 -16.968 2.403 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.628 3.584 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.256 2.660 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.545 4.094 -9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.902 4.467 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.145 5.496 -11.102 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.705 5.639 -10.997 1.00 0.00 N ATOM 1844 CA ALA A 121 -16.114 6.974 -10.979 1.00 0.00 C ATOM 1845 C ALA A 121 -14.960 7.073 -11.972 1.00 0.00 C ATOM 1846 O ALA A 121 -14.697 8.135 -12.532 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.640 7.324 -9.573 1.00 0.00 C ATOM 0 H ALA A 121 -16.412 5.039 -10.226 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.879 7.690 -11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -15.202 8.322 -9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -16.487 7.301 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.892 6.600 -9.250 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.277 5.956 -12.185 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.157 5.895 -13.118 1.00 0.00 C ATOM 1855 C PHE A 122 -13.616 6.243 -14.531 1.00 0.00 C ATOM 1856 O PHE A 122 -12.907 6.922 -15.276 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.531 4.497 -13.084 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.253 4.367 -13.864 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.103 5.018 -13.449 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.199 3.580 -15.003 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.922 4.887 -14.157 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.021 3.447 -15.716 1.00 0.00 C ATOM 1863 CZ PHE A 122 -8.882 4.102 -15.291 1.00 0.00 C ATOM 0 H PHE A 122 -14.481 5.071 -11.720 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.406 6.626 -12.817 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -12.338 4.224 -12.046 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -13.254 3.780 -13.473 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.129 5.635 -12.563 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.087 3.064 -15.338 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.032 5.399 -13.822 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.992 2.832 -16.603 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.961 4.000 -15.846 1.00 0.00 H new