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 74 ASN :FLIP amide:sc=-0.00101 F(o=-1.5,f=-0.001) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 SER OG : rot 140:sc= -0.168 USER MOD Set 2.2: A 67 ASN : amide:sc= 0.677! K(o=1.2!,f=-2.1) USER MOD Set 2.3: A 77 CYS SG : rot 68:sc= 0.702 USER MOD Single : A 33 MET CE :methyl 161:sc= -0.327 (180deg=-1.36) USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.05 K(o=1.1,f=-0.05) USER MOD Single : A 50 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.6) USER MOD Single : A 51 MET CE :methyl 168:sc= 0 (180deg=-0.194) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 48:sc=-0.00383 USER MOD Single : A 65 TYR OH : rot 39:sc= 1.27 USER MOD Single : A 70 THR OG1 : rot 133:sc= 0.0167 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.937) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.013) USER MOD Single : A 98 HIS : no HE2:sc= 0.928 K(o=0.93,f=-3!) USER MOD Single : A 100 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.61) USER MOD Single : A 101 THR OG1 : rot -70:sc= -0.336 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=-0.23) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -17:sc= 1.19 USER MOD Single : A 115 SER OG : rot -50:sc= -0.578! USER MOD Single : A 118 TYR OH : rot -170:sc= -1.25! USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.079 4.861 -3.111 1.00 0.00 N ATOM 439 CA ASP A 32 11.205 4.785 -1.956 1.00 0.00 C ATOM 440 C ASP A 32 9.793 4.470 -2.422 1.00 0.00 C ATOM 441 O ASP A 32 9.213 5.206 -3.224 1.00 0.00 O ATOM 442 CB ASP A 32 11.231 6.100 -1.168 1.00 0.00 C ATOM 443 CG ASP A 32 10.435 6.046 0.129 1.00 0.00 C ATOM 444 OD1 ASP A 32 9.728 5.047 0.374 1.00 0.00 O ATOM 445 OD2 ASP A 32 10.517 7.014 0.914 1.00 0.00 O ATOM 0 HA ASP A 32 11.554 3.993 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.265 6.357 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.835 6.898 -1.795 1.00 0.00 H new ATOM 450 N MET A 33 9.258 3.371 -1.927 1.00 0.00 N ATOM 451 CA MET A 33 7.929 2.910 -2.300 1.00 0.00 C ATOM 452 C MET A 33 6.876 3.938 -1.907 1.00 0.00 C ATOM 453 O MET A 33 5.790 3.978 -2.477 1.00 0.00 O ATOM 454 CB MET A 33 7.635 1.571 -1.624 1.00 0.00 C ATOM 455 CG MET A 33 6.456 0.830 -2.225 1.00 0.00 C ATOM 456 SD MET A 33 6.702 0.437 -3.969 1.00 0.00 S ATOM 457 CE MET A 33 8.274 -0.416 -3.887 1.00 0.00 C ATOM 0 H MET A 33 9.731 2.769 -1.253 1.00 0.00 H new ATOM 0 HA MET A 33 7.896 2.779 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.521 0.939 -1.689 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.443 1.743 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.289 -0.092 -1.668 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.556 1.436 -2.116 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.413 -1.011 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.080 0.313 -3.805 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.288 -1.071 -3.016 1.00 0.00 H new ATOM 467 N ARG A 34 7.218 4.777 -0.938 1.00 0.00 N ATOM 468 CA ARG A 34 6.327 5.831 -0.469 1.00 0.00 C ATOM 469 C ARG A 34 6.046 6.854 -1.574 1.00 0.00 C ATOM 470 O ARG A 34 4.982 7.466 -1.605 1.00 0.00 O ATOM 471 CB ARG A 34 6.942 6.521 0.754 1.00 0.00 C ATOM 472 CG ARG A 34 6.201 7.766 1.215 1.00 0.00 C ATOM 473 CD ARG A 34 6.905 8.425 2.391 1.00 0.00 C ATOM 474 NE ARG A 34 8.331 8.631 2.132 1.00 0.00 N ATOM 475 CZ ARG A 34 8.890 9.821 1.924 1.00 0.00 C ATOM 476 NH1 ARG A 34 8.137 10.911 1.822 1.00 0.00 N ATOM 477 NH2 ARG A 34 10.205 9.916 1.786 1.00 0.00 N ATOM 0 H ARG A 34 8.117 4.747 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 34 5.376 5.378 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.977 5.808 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.972 6.792 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.127 8.474 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.183 7.501 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.433 9.384 2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.784 7.805 3.279 1.00 0.00 H new ATOM 0 HE ARG A 34 8.935 7.810 2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.123 10.840 1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.573 11.819 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.785 9.079 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.637 10.826 1.626 1.00 0.00 H new ATOM 491 N LEU A 35 6.990 7.014 -2.493 1.00 0.00 N ATOM 492 CA LEU A 35 6.844 7.980 -3.581 1.00 0.00 C ATOM 493 C LEU A 35 5.802 7.493 -4.568 1.00 0.00 C ATOM 494 O LEU A 35 4.891 8.230 -4.950 1.00 0.00 O ATOM 495 CB LEU A 35 8.179 8.177 -4.289 1.00 0.00 C ATOM 496 CG LEU A 35 9.371 8.258 -3.347 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.670 8.275 -4.134 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.273 9.485 -2.450 1.00 0.00 C ATOM 0 H LEU A 35 7.865 6.489 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 35 6.521 8.934 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.334 7.353 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.134 9.091 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 35 9.362 7.373 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.512 8.333 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.748 7.364 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.683 9.141 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.137 9.520 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.251 10.385 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.361 9.430 -1.856 1.00 0.00 H new ATOM 510 N GLU A 36 5.935 6.238 -4.972 1.00 0.00 N ATOM 511 CA GLU A 36 4.941 5.615 -5.826 1.00 0.00 C ATOM 512 C GLU A 36 3.632 5.486 -5.063 1.00 0.00 C ATOM 513 O GLU A 36 2.554 5.492 -5.650 1.00 0.00 O ATOM 514 CB GLU A 36 5.410 4.238 -6.305 1.00 0.00 C ATOM 515 CG GLU A 36 6.698 4.274 -7.113 1.00 0.00 C ATOM 516 CD GLU A 36 7.008 2.945 -7.774 1.00 0.00 C ATOM 517 OE1 GLU A 36 7.619 2.072 -7.123 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.637 2.762 -8.954 1.00 0.00 O ATOM 0 H GLU A 36 6.719 5.635 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 36 4.794 6.242 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.554 3.592 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.624 3.788 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.622 5.047 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.525 4.553 -6.460 1.00 0.00 H new ATOM 525 N ALA A 37 3.742 5.406 -3.740 1.00 0.00 N ATOM 526 CA ALA A 37 2.569 5.280 -2.881 1.00 0.00 C ATOM 527 C ALA A 37 1.736 6.553 -2.919 1.00 0.00 C ATOM 528 O ALA A 37 0.537 6.510 -3.192 1.00 0.00 O ATOM 529 CB ALA A 37 2.979 4.961 -1.453 1.00 0.00 C ATOM 0 H ALA A 37 4.631 5.426 -3.240 1.00 0.00 H new ATOM 0 HA ALA A 37 1.962 4.457 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.089 4.872 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.531 4.021 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.612 5.761 -1.069 1.00 0.00 H new ATOM 535 N GLU A 38 2.385 7.682 -2.659 1.00 0.00 N ATOM 536 CA GLU A 38 1.725 8.982 -2.693 1.00 0.00 C ATOM 537 C GLU A 38 1.120 9.237 -4.074 1.00 0.00 C ATOM 538 O GLU A 38 0.042 9.822 -4.195 1.00 0.00 O ATOM 539 CB GLU A 38 2.736 10.077 -2.326 1.00 0.00 C ATOM 540 CG GLU A 38 2.170 11.490 -2.302 1.00 0.00 C ATOM 541 CD GLU A 38 1.003 11.654 -1.347 1.00 0.00 C ATOM 542 OE1 GLU A 38 1.194 11.472 -0.125 1.00 0.00 O ATOM 543 OE2 GLU A 38 -0.106 11.989 -1.814 1.00 0.00 O ATOM 0 H GLU A 38 3.376 7.723 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 38 0.913 8.995 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.153 9.852 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.560 10.044 -3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.961 12.186 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.848 11.762 -3.307 1.00 0.00 H new ATOM 550 N ALA A 39 1.814 8.771 -5.111 1.00 0.00 N ATOM 551 CA ALA A 39 1.325 8.896 -6.477 1.00 0.00 C ATOM 552 C ALA A 39 0.014 8.136 -6.651 1.00 0.00 C ATOM 553 O ALA A 39 -0.958 8.674 -7.180 1.00 0.00 O ATOM 554 CB ALA A 39 2.368 8.392 -7.464 1.00 0.00 C ATOM 0 H ALA A 39 2.717 8.304 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 39 1.139 9.951 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.986 8.493 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.281 8.978 -7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.585 7.343 -7.260 1.00 0.00 H new ATOM 560 N VAL A 40 -0.005 6.890 -6.192 1.00 0.00 N ATOM 561 CA VAL A 40 -1.199 6.055 -6.279 1.00 0.00 C ATOM 562 C VAL A 40 -2.346 6.652 -5.465 1.00 0.00 C ATOM 563 O VAL A 40 -3.456 6.808 -5.975 1.00 0.00 O ATOM 564 CB VAL A 40 -0.918 4.610 -5.798 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.205 3.798 -5.715 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.076 3.925 -6.723 1.00 0.00 C ATOM 0 H VAL A 40 0.795 6.434 -5.754 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.488 6.020 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.487 4.668 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.977 2.788 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.889 4.272 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.671 3.753 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.262 2.911 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.332 3.889 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.012 4.484 -6.730 1.00 0.00 H new ATOM 576 N VAL A 41 -2.061 7.002 -4.212 1.00 0.00 N ATOM 577 CA VAL A 41 -3.069 7.552 -3.305 1.00 0.00 C ATOM 578 C VAL A 41 -3.773 8.761 -3.920 1.00 0.00 C ATOM 579 O VAL A 41 -5.001 8.847 -3.915 1.00 0.00 O ATOM 580 CB VAL A 41 -2.445 7.963 -1.950 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.459 8.678 -1.073 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.892 6.748 -1.224 1.00 0.00 C ATOM 0 H VAL A 41 -1.133 6.914 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.801 6.763 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.626 8.652 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.992 8.955 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.810 9.576 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.304 8.017 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.458 7.058 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.697 6.037 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.124 6.276 -1.837 1.00 0.00 H new ATOM 592 N ASN A 42 -2.993 9.683 -4.460 1.00 0.00 N ATOM 593 CA ASN A 42 -3.541 10.903 -5.036 1.00 0.00 C ATOM 594 C ASN A 42 -4.286 10.618 -6.338 1.00 0.00 C ATOM 595 O ASN A 42 -5.305 11.245 -6.634 1.00 0.00 O ATOM 596 CB ASN A 42 -2.418 11.910 -5.294 1.00 0.00 C ATOM 597 CG ASN A 42 -2.917 13.242 -5.827 1.00 0.00 C ATOM 598 OD1 ASN A 42 -4.083 13.673 -5.371 1.00 0.00 O flip ATOM 599 ND2 ASN A 42 -2.245 13.890 -6.630 1.00 0.00 N flip ATOM 0 H ASN A 42 -1.977 9.611 -4.512 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.251 11.321 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.871 12.079 -4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.713 11.483 -6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.351 13.525 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.582 14.792 -6.966 1.00 0.00 H new ATOM 606 N ASP A 43 -3.786 9.661 -7.103 1.00 0.00 N ATOM 607 CA ASP A 43 -4.304 9.414 -8.442 1.00 0.00 C ATOM 608 C ASP A 43 -5.671 8.736 -8.411 1.00 0.00 C ATOM 609 O ASP A 43 -6.610 9.206 -9.048 1.00 0.00 O ATOM 610 CB ASP A 43 -3.317 8.569 -9.248 1.00 0.00 C ATOM 611 CG ASP A 43 -3.666 8.514 -10.722 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.678 9.582 -11.371 1.00 0.00 O ATOM 613 OD2 ASP A 43 -3.910 7.409 -11.240 1.00 0.00 O ATOM 0 H ASP A 43 -3.024 9.043 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.428 10.383 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.314 8.978 -9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.297 7.556 -8.845 1.00 0.00 H new ATOM 618 N VAL A 44 -5.793 7.656 -7.647 1.00 0.00 N ATOM 619 CA VAL A 44 -7.023 6.863 -7.647 1.00 0.00 C ATOM 620 C VAL A 44 -7.955 7.269 -6.509 1.00 0.00 C ATOM 621 O VAL A 44 -8.944 6.590 -6.232 1.00 0.00 O ATOM 622 CB VAL A 44 -6.730 5.348 -7.554 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.918 4.883 -8.753 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.013 5.007 -6.257 1.00 0.00 C ATOM 0 H VAL A 44 -5.064 7.309 -7.024 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.517 7.066 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.684 4.822 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.723 3.814 -8.668 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.477 5.078 -9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.972 5.423 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.820 3.935 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.068 5.548 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.637 5.294 -5.410 1.00 0.00 H new ATOM 634 N LEU A 45 -7.649 8.395 -5.874 1.00 0.00 N ATOM 635 CA LEU A 45 -8.445 8.898 -4.754 1.00 0.00 C ATOM 636 C LEU A 45 -9.900 9.145 -5.165 1.00 0.00 C ATOM 637 O LEU A 45 -10.816 9.024 -4.350 1.00 0.00 O ATOM 638 CB LEU A 45 -7.831 10.193 -4.212 1.00 0.00 C ATOM 639 CG LEU A 45 -8.496 10.758 -2.957 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.375 9.778 -1.802 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.876 12.095 -2.588 1.00 0.00 C ATOM 0 H LEU A 45 -6.851 8.982 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.439 8.137 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.778 10.013 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.870 10.950 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.555 10.912 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.854 10.197 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.862 8.840 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.322 9.593 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.359 12.485 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.811 11.962 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.012 12.798 -3.410 1.00 0.00 H new ATOM 653 N PHE A 46 -10.111 9.471 -6.436 1.00 0.00 N ATOM 654 CA PHE A 46 -11.451 9.778 -6.934 1.00 0.00 C ATOM 655 C PHE A 46 -12.280 8.503 -7.107 1.00 0.00 C ATOM 656 O PHE A 46 -13.490 8.561 -7.324 1.00 0.00 O ATOM 657 CB PHE A 46 -11.369 10.542 -8.264 1.00 0.00 C ATOM 658 CG PHE A 46 -10.917 9.711 -9.439 1.00 0.00 C ATOM 659 CD1 PHE A 46 -9.624 9.218 -9.511 1.00 0.00 C ATOM 660 CD2 PHE A 46 -11.791 9.431 -10.478 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.213 8.462 -10.593 1.00 0.00 C ATOM 662 CE2 PHE A 46 -11.386 8.675 -11.563 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.095 8.190 -11.619 1.00 0.00 C ATOM 0 H PHE A 46 -9.375 9.530 -7.140 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.946 10.409 -6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.350 10.961 -8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.684 11.381 -8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.928 9.427 -8.712 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.802 9.808 -10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.202 8.084 -10.635 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.078 8.465 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.776 7.599 -12.464 1.00 0.00 H new ATOM 673 N ALA A 47 -11.626 7.353 -7.001 1.00 0.00 N ATOM 674 CA ALA A 47 -12.297 6.075 -7.187 1.00 0.00 C ATOM 675 C ALA A 47 -12.605 5.415 -5.845 1.00 0.00 C ATOM 676 O ALA A 47 -13.104 4.292 -5.798 1.00 0.00 O ATOM 677 CB ALA A 47 -11.447 5.157 -8.051 1.00 0.00 C ATOM 0 H ALA A 47 -10.631 7.280 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.244 6.258 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.959 4.204 -8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.286 5.620 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.486 4.988 -7.566 1.00 0.00 H new ATOM 683 N VAL A 48 -12.321 6.123 -4.757 1.00 0.00 N ATOM 684 CA VAL A 48 -12.577 5.611 -3.414 1.00 0.00 C ATOM 685 C VAL A 48 -13.106 6.729 -2.524 1.00 0.00 C ATOM 686 O VAL A 48 -13.261 7.865 -2.973 1.00 0.00 O ATOM 687 CB VAL A 48 -11.322 4.980 -2.755 1.00 0.00 C ATOM 688 CG1 VAL A 48 -10.797 3.811 -3.574 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.230 6.012 -2.540 1.00 0.00 C ATOM 0 H VAL A 48 -11.912 7.057 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.320 4.820 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.626 4.602 -1.779 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.918 3.391 -3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.569 3.046 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.527 4.158 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.366 5.536 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.938 6.438 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.601 6.804 -1.889 1.00 0.00 H new ATOM 699 N ASN A 49 -13.385 6.409 -1.268 1.00 0.00 N ATOM 700 CA ASN A 49 -13.932 7.385 -0.336 1.00 0.00 C ATOM 701 C ASN A 49 -12.807 8.104 0.397 1.00 0.00 C ATOM 702 O ASN A 49 -12.857 9.316 0.602 1.00 0.00 O ATOM 703 CB ASN A 49 -14.873 6.696 0.660 1.00 0.00 C ATOM 704 CG ASN A 49 -15.613 7.674 1.558 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.633 8.239 1.160 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.146 7.842 2.786 1.00 0.00 N ATOM 0 H ASN A 49 -13.241 5.481 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.504 8.125 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.599 6.097 0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.296 6.009 1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.634 8.456 3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.298 7.357 3.080 1.00 0.00 H new ATOM 713 N ASN A 50 -11.782 7.349 0.758 1.00 0.00 N ATOM 714 CA ASN A 50 -10.628 7.887 1.467 1.00 0.00 C ATOM 715 C ASN A 50 -9.405 7.028 1.163 1.00 0.00 C ATOM 716 O ASN A 50 -9.541 5.857 0.821 1.00 0.00 O ATOM 717 CB ASN A 50 -10.899 7.910 2.977 1.00 0.00 C ATOM 718 CG ASN A 50 -9.787 8.564 3.777 1.00 0.00 C ATOM 719 OD1 ASN A 50 -9.104 9.470 3.295 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.600 8.109 5.006 1.00 0.00 N ATOM 0 H ASN A 50 -11.725 6.348 0.569 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.443 8.908 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.832 8.441 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.038 6.888 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.868 8.510 5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.188 7.357 5.367 1.00 0.00 H new ATOM 727 N MET A 51 -8.222 7.606 1.261 1.00 0.00 N ATOM 728 CA MET A 51 -6.994 6.861 1.035 1.00 0.00 C ATOM 729 C MET A 51 -5.821 7.633 1.619 1.00 0.00 C ATOM 730 O MET A 51 -5.648 8.814 1.329 1.00 0.00 O ATOM 731 CB MET A 51 -6.774 6.611 -0.462 1.00 0.00 C ATOM 732 CG MET A 51 -5.824 5.461 -0.751 1.00 0.00 C ATOM 733 SD MET A 51 -5.523 5.227 -2.512 1.00 0.00 S ATOM 734 CE MET A 51 -4.514 3.748 -2.480 1.00 0.00 C ATOM 0 H MET A 51 -8.084 8.589 1.496 1.00 0.00 H new ATOM 0 HA MET A 51 -7.073 5.892 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.735 6.405 -0.933 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.383 7.519 -0.920 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.875 5.644 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.235 4.542 -0.332 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.420 3.350 -3.490 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.525 3.991 -2.092 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.982 3.002 -1.838 1.00 0.00 H new ATOM 744 N PHE A 52 -5.034 6.973 2.452 1.00 0.00 N ATOM 745 CA PHE A 52 -3.926 7.626 3.129 1.00 0.00 C ATOM 746 C PHE A 52 -2.893 6.596 3.565 1.00 0.00 C ATOM 747 O PHE A 52 -3.248 5.525 4.054 1.00 0.00 O ATOM 748 CB PHE A 52 -4.460 8.405 4.341 1.00 0.00 C ATOM 749 CG PHE A 52 -3.403 9.070 5.179 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.524 9.983 4.620 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.300 8.784 6.532 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.559 10.596 5.396 1.00 0.00 C ATOM 753 CE2 PHE A 52 -2.338 9.394 7.311 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.466 10.301 6.742 1.00 0.00 C ATOM 0 H PHE A 52 -5.142 5.984 2.676 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.441 8.322 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.156 9.166 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.028 7.722 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.594 10.218 3.568 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.980 8.076 6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.878 11.306 4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.267 9.162 8.364 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.712 10.779 7.349 1.00 0.00 H new ATOM 764 N VAL A 53 -1.618 6.908 3.366 1.00 0.00 N ATOM 765 CA VAL A 53 -0.547 6.038 3.833 1.00 0.00 C ATOM 766 C VAL A 53 -0.626 5.890 5.348 1.00 0.00 C ATOM 767 O VAL A 53 -0.845 6.870 6.057 1.00 0.00 O ATOM 768 CB VAL A 53 0.849 6.558 3.420 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.026 6.451 1.914 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.060 7.995 3.875 1.00 0.00 C ATOM 0 H VAL A 53 -1.302 7.752 2.887 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.682 5.065 3.361 1.00 0.00 H new ATOM 0 HB VAL A 53 1.598 5.937 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.013 6.820 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.930 5.409 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.262 7.047 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.051 8.332 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.303 8.635 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.977 8.049 4.961 1.00 0.00 H new ATOM 780 N SER A 54 -0.461 4.664 5.829 1.00 0.00 N ATOM 781 CA SER A 54 -0.701 4.335 7.231 1.00 0.00 C ATOM 782 C SER A 54 0.054 5.264 8.182 1.00 0.00 C ATOM 783 O SER A 54 -0.522 5.779 9.143 1.00 0.00 O ATOM 784 CB SER A 54 -0.297 2.885 7.485 1.00 0.00 C ATOM 785 OG SER A 54 -0.917 2.019 6.549 1.00 0.00 O ATOM 0 H SER A 54 -0.158 3.872 5.262 1.00 0.00 H new ATOM 0 HA SER A 54 -1.764 4.470 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.786 2.787 7.416 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.579 2.596 8.497 1.00 0.00 H new ATOM 0 HG SER A 54 -0.279 1.330 6.269 1.00 0.00 H new ATOM 791 N LYS A 55 1.352 5.444 7.921 1.00 0.00 N ATOM 792 CA LYS A 55 2.207 6.325 8.724 1.00 0.00 C ATOM 793 C LYS A 55 2.398 5.731 10.124 1.00 0.00 C ATOM 794 O LYS A 55 3.002 6.335 11.007 1.00 0.00 O ATOM 795 CB LYS A 55 1.609 7.740 8.797 1.00 0.00 C ATOM 796 CG LYS A 55 2.541 8.787 9.391 1.00 0.00 C ATOM 797 CD LYS A 55 1.882 10.155 9.446 1.00 0.00 C ATOM 798 CE LYS A 55 2.799 11.189 10.074 1.00 0.00 C ATOM 799 NZ LYS A 55 2.156 12.527 10.144 1.00 0.00 N ATOM 0 H LYS A 55 1.839 4.986 7.151 1.00 0.00 H new ATOM 0 HA LYS A 55 3.184 6.403 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.324 8.053 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.696 7.705 9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.836 8.484 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.452 8.845 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.612 10.471 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.957 10.092 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.077 10.867 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.720 11.258 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.813 13.206 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.913 12.846 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.291 12.467 10.718 1.00 0.00 H new ATOM 813 N SER A 56 1.893 4.522 10.293 1.00 0.00 N ATOM 814 CA SER A 56 2.012 3.779 11.533 1.00 0.00 C ATOM 815 C SER A 56 2.579 2.423 11.180 1.00 0.00 C ATOM 816 O SER A 56 2.420 1.436 11.893 1.00 0.00 O ATOM 817 CB SER A 56 0.639 3.633 12.198 1.00 0.00 C ATOM 818 OG SER A 56 0.000 4.893 12.346 1.00 0.00 O ATOM 0 H SER A 56 1.383 4.023 9.564 1.00 0.00 H new ATOM 0 HA SER A 56 2.662 4.297 12.239 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.011 2.973 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.754 3.164 13.175 1.00 0.00 H new ATOM 0 HG SER A 56 -0.874 4.769 12.771 1.00 0.00 H new ATOM 824 N LEU A 57 3.257 2.416 10.047 1.00 0.00 N ATOM 825 CA LEU A 57 3.742 1.215 9.422 1.00 0.00 C ATOM 826 C LEU A 57 4.985 1.545 8.624 1.00 0.00 C ATOM 827 O LEU A 57 4.962 2.412 7.750 1.00 0.00 O ATOM 828 CB LEU A 57 2.655 0.631 8.527 1.00 0.00 C ATOM 829 CG LEU A 57 1.632 -0.236 9.256 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.366 -0.386 8.445 1.00 0.00 C ATOM 831 CD2 LEU A 57 2.225 -1.596 9.524 1.00 0.00 C ATOM 0 H LEU A 57 3.487 3.265 9.531 1.00 0.00 H new ATOM 0 HA LEU A 57 3.996 0.471 10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.132 1.449 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.127 0.035 7.746 1.00 0.00 H new ATOM 0 HG LEU A 57 1.378 0.251 10.197 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.344 -1.009 8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.073 0.596 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.600 -0.854 7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.495 -2.215 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.494 -2.068 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.116 -1.489 10.142 1.00 0.00 H new ATOM 843 N ARG A 58 6.060 0.859 8.947 1.00 0.00 N ATOM 844 CA ARG A 58 7.379 1.193 8.420 1.00 0.00 C ATOM 845 C ARG A 58 7.459 1.036 6.904 1.00 0.00 C ATOM 846 O ARG A 58 7.360 -0.066 6.363 1.00 0.00 O ATOM 847 CB ARG A 58 8.487 0.365 9.102 1.00 0.00 C ATOM 848 CG ARG A 58 8.409 -1.149 8.899 1.00 0.00 C ATOM 849 CD ARG A 58 7.283 -1.778 9.700 1.00 0.00 C ATOM 850 NE ARG A 58 7.290 -3.236 9.626 1.00 0.00 N ATOM 851 CZ ARG A 58 6.293 -4.008 10.054 1.00 0.00 C ATOM 852 NH1 ARG A 58 5.195 -3.465 10.572 1.00 0.00 N ATOM 853 NH2 ARG A 58 6.398 -5.327 9.972 1.00 0.00 N ATOM 0 H ARG A 58 6.052 0.058 9.578 1.00 0.00 H new ATOM 0 HA ARG A 58 7.540 2.246 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.452 0.712 8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.461 0.571 10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.264 -1.365 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.357 -1.602 9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.367 -1.470 10.742 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.327 -1.404 9.333 1.00 0.00 H new ATOM 0 HE ARG A 58 8.108 -3.691 9.222 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.113 -2.451 10.643 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.435 -4.063 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.241 -5.748 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.636 -5.921 10.299 1.00 0.00 H new ATOM 867 N CYS A 59 7.611 2.158 6.220 1.00 0.00 N ATOM 868 CA CYS A 59 7.907 2.150 4.802 1.00 0.00 C ATOM 869 C CYS A 59 9.373 2.486 4.589 1.00 0.00 C ATOM 870 O CYS A 59 9.763 3.654 4.565 1.00 0.00 O ATOM 871 CB CYS A 59 7.009 3.131 4.049 1.00 0.00 C ATOM 872 SG CYS A 59 6.852 4.752 4.837 1.00 0.00 S ATOM 0 H CYS A 59 7.533 3.089 6.629 1.00 0.00 H new ATOM 0 HA CYS A 59 7.708 1.154 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.403 3.266 3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.017 2.692 3.947 1.00 0.00 H new ATOM 0 HG CYS A 59 8.031 5.190 5.167 1.00 0.00 H new ATOM 878 N ALA A 60 10.187 1.454 4.469 1.00 0.00 N ATOM 879 CA ALA A 60 11.622 1.637 4.368 1.00 0.00 C ATOM 880 C ALA A 60 12.013 2.110 2.975 1.00 0.00 C ATOM 881 O ALA A 60 12.286 3.292 2.769 1.00 0.00 O ATOM 882 CB ALA A 60 12.349 0.350 4.725 1.00 0.00 C ATOM 0 H ALA A 60 9.879 0.482 4.439 1.00 0.00 H new ATOM 0 HA ALA A 60 11.919 2.408 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.425 0.505 4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.100 0.063 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.044 -0.442 4.041 1.00 0.00 H new ATOM 888 N ASP A 61 12.010 1.189 2.019 1.00 0.00 N ATOM 889 CA ASP A 61 12.442 1.492 0.661 1.00 0.00 C ATOM 890 C ASP A 61 11.545 0.797 -0.354 1.00 0.00 C ATOM 891 O ASP A 61 10.835 1.449 -1.106 1.00 0.00 O ATOM 892 CB ASP A 61 13.906 1.074 0.442 1.00 0.00 C ATOM 893 CG ASP A 61 14.877 1.826 1.333 1.00 0.00 C ATOM 894 OD1 ASP A 61 15.319 2.934 0.949 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.204 1.314 2.428 1.00 0.00 O ATOM 0 H ASP A 61 11.712 0.224 2.160 1.00 0.00 H new ATOM 0 HA ASP A 61 12.366 2.570 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.004 0.005 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.174 1.242 -0.601 1.00 0.00 H new ATOM 900 N ASP A 62 11.553 -0.528 -0.356 1.00 0.00 N ATOM 901 CA ASP A 62 10.751 -1.289 -1.310 1.00 0.00 C ATOM 902 C ASP A 62 9.505 -1.863 -0.649 1.00 0.00 C ATOM 903 O ASP A 62 8.888 -2.797 -1.163 1.00 0.00 O ATOM 904 CB ASP A 62 11.571 -2.411 -1.950 1.00 0.00 C ATOM 905 CG ASP A 62 12.425 -1.916 -3.100 1.00 0.00 C ATOM 906 OD1 ASP A 62 11.882 -1.732 -4.211 1.00 0.00 O ATOM 907 OD2 ASP A 62 13.639 -1.710 -2.900 1.00 0.00 O ATOM 0 H ASP A 62 12.102 -1.098 0.287 1.00 0.00 H new ATOM 0 HA ASP A 62 10.438 -0.599 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.211 -2.866 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.898 -3.190 -2.309 1.00 0.00 H new ATOM 912 N VAL A 63 9.131 -1.292 0.484 1.00 0.00 N ATOM 913 CA VAL A 63 7.921 -1.694 1.181 1.00 0.00 C ATOM 914 C VAL A 63 7.221 -0.470 1.765 1.00 0.00 C ATOM 915 O VAL A 63 7.851 0.364 2.415 1.00 0.00 O ATOM 916 CB VAL A 63 8.212 -2.730 2.299 1.00 0.00 C ATOM 917 CG1 VAL A 63 9.177 -2.173 3.338 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.918 -3.190 2.956 1.00 0.00 C ATOM 0 H VAL A 63 9.652 -0.544 0.943 1.00 0.00 H new ATOM 0 HA VAL A 63 7.266 -2.173 0.454 1.00 0.00 H new ATOM 0 HB VAL A 63 8.689 -3.593 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.358 -2.925 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.119 -1.912 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.745 -1.283 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.144 -3.916 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.408 -2.332 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.274 -3.651 2.207 1.00 0.00 H new ATOM 928 N ALA A 64 5.933 -0.342 1.491 1.00 0.00 N ATOM 929 CA ALA A 64 5.147 0.761 2.021 1.00 0.00 C ATOM 930 C ALA A 64 3.734 0.303 2.345 1.00 0.00 C ATOM 931 O ALA A 64 3.041 -0.248 1.495 1.00 0.00 O ATOM 932 CB ALA A 64 5.117 1.917 1.033 1.00 0.00 C ATOM 0 H ALA A 64 5.408 -0.990 0.903 1.00 0.00 H new ATOM 0 HA ALA A 64 5.617 1.106 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.525 2.733 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.134 2.264 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.671 1.583 0.096 1.00 0.00 H new ATOM 938 N TYR A 65 3.317 0.528 3.579 1.00 0.00 N ATOM 939 CA TYR A 65 1.987 0.135 4.021 1.00 0.00 C ATOM 940 C TYR A 65 1.010 1.303 3.899 1.00 0.00 C ATOM 941 O TYR A 65 1.263 2.399 4.407 1.00 0.00 O ATOM 942 CB TYR A 65 2.039 -0.383 5.451 1.00 0.00 C ATOM 943 CG TYR A 65 2.820 -1.672 5.592 1.00 0.00 C ATOM 944 CD1 TYR A 65 2.211 -2.896 5.355 1.00 0.00 C ATOM 945 CD2 TYR A 65 4.163 -1.665 5.954 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.915 -4.076 5.471 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.875 -2.845 6.075 1.00 0.00 C ATOM 948 CZ TYR A 65 4.245 -4.049 5.831 1.00 0.00 C ATOM 949 OH TYR A 65 4.948 -5.228 5.937 1.00 0.00 O ATOM 0 H TYR A 65 3.882 0.983 4.296 1.00 0.00 H new ATOM 0 HA TYR A 65 1.630 -0.669 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.488 0.378 6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.022 -0.541 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.168 -2.925 5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.658 -0.724 6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.425 -5.019 5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.917 -2.824 6.359 1.00 0.00 H new ATOM 0 HH TYR A 65 4.677 -5.836 5.218 1.00 0.00 H new ATOM 959 N ILE A 66 -0.096 1.064 3.203 1.00 0.00 N ATOM 960 CA ILE A 66 -1.088 2.100 2.943 1.00 0.00 C ATOM 961 C ILE A 66 -2.469 1.657 3.419 1.00 0.00 C ATOM 962 O ILE A 66 -2.820 0.484 3.321 1.00 0.00 O ATOM 963 CB ILE A 66 -1.169 2.424 1.432 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.221 2.734 0.872 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.113 3.595 1.181 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.229 2.972 -0.624 1.00 0.00 C ATOM 0 H ILE A 66 -0.329 0.154 2.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.777 2.990 3.490 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.563 1.547 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.618 3.616 1.375 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.891 1.906 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.155 3.806 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.110 3.342 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.749 4.476 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.246 3.186 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.138 2.083 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.415 3.819 -0.861 1.00 0.00 H new ATOM 978 N ASN A 67 -3.250 2.598 3.928 1.00 0.00 N ATOM 979 CA ASN A 67 -4.626 2.317 4.310 1.00 0.00 C ATOM 980 C ASN A 67 -5.575 2.938 3.290 1.00 0.00 C ATOM 981 O ASN A 67 -5.511 4.138 3.018 1.00 0.00 O ATOM 982 CB ASN A 67 -4.924 2.854 5.713 1.00 0.00 C ATOM 983 CG ASN A 67 -4.157 2.125 6.803 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.868 0.932 6.691 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.820 2.837 7.868 1.00 0.00 N ATOM 0 H ASN A 67 -2.955 3.562 4.086 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.772 1.237 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.677 3.915 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.993 2.769 5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.304 2.400 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.077 3.822 7.925 1.00 0.00 H new ATOM 992 N VAL A 68 -6.443 2.120 2.718 1.00 0.00 N ATOM 993 CA VAL A 68 -7.353 2.581 1.678 1.00 0.00 C ATOM 994 C VAL A 68 -8.805 2.348 2.092 1.00 0.00 C ATOM 995 O VAL A 68 -9.109 1.399 2.809 1.00 0.00 O ATOM 996 CB VAL A 68 -7.062 1.877 0.324 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.259 0.374 0.431 1.00 0.00 C ATOM 998 CG2 VAL A 68 -7.922 2.453 -0.793 1.00 0.00 C ATOM 0 H VAL A 68 -6.538 1.133 2.955 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.192 3.651 1.546 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.017 2.064 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.048 -0.090 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.582 -0.029 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.289 0.162 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.696 1.940 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.975 2.315 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.711 3.517 -0.903 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.685 3.235 1.660 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.103 3.125 1.950 1.00 0.00 C ATOM 1010 C GLU A 69 -11.901 3.385 0.676 1.00 0.00 C ATOM 1011 O GLU A 69 -12.018 4.526 0.227 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.494 4.117 3.046 1.00 0.00 C ATOM 1013 CG GLU A 69 -12.944 4.013 3.485 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.281 5.000 4.581 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.570 6.172 4.260 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.252 4.617 5.772 1.00 0.00 O ATOM 0 H GLU A 69 -9.437 4.050 1.099 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.326 2.120 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.851 3.958 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.305 5.130 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.595 4.188 2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.144 3.001 3.836 1.00 0.00 H new ATOM 1023 N THR A 70 -12.421 2.319 0.093 1.00 0.00 N ATOM 1024 CA THR A 70 -13.130 2.384 -1.177 1.00 0.00 C ATOM 1025 C THR A 70 -14.427 3.182 -1.058 1.00 0.00 C ATOM 1026 O THR A 70 -14.811 3.596 0.036 1.00 0.00 O ATOM 1027 CB THR A 70 -13.448 0.969 -1.691 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.305 0.282 -0.768 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.166 0.175 -1.888 1.00 0.00 C ATOM 0 H THR A 70 -12.364 1.380 0.487 1.00 0.00 H new ATOM 0 HA THR A 70 -12.476 2.892 -1.886 1.00 0.00 H new ATOM 0 HB THR A 70 -13.959 1.061 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.045 -0.135 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.409 -0.823 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.532 0.682 -2.615 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.637 0.096 -0.938 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.108 3.390 -2.184 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.357 4.148 -2.189 1.00 0.00 C ATOM 1039 C LYS A 71 -17.449 3.385 -1.456 1.00 0.00 C ATOM 1040 O LYS A 71 -18.438 3.965 -1.013 1.00 0.00 O ATOM 1041 CB LYS A 71 -16.805 4.460 -3.618 1.00 0.00 C ATOM 1042 CG LYS A 71 -15.813 5.314 -4.387 1.00 0.00 C ATOM 1043 CD LYS A 71 -16.378 5.781 -5.719 1.00 0.00 C ATOM 1044 CE LYS A 71 -17.552 6.723 -5.520 1.00 0.00 C ATOM 1045 NZ LYS A 71 -18.121 7.193 -6.810 1.00 0.00 N ATOM 0 H LYS A 71 -14.818 3.046 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.177 5.090 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.960 3.524 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.766 4.973 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.538 6.181 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.901 4.743 -4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.598 6.284 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.696 4.918 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.328 6.217 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.230 7.583 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.919 7.833 -6.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.389 7.699 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.453 6.376 -7.361 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.249 2.084 -1.317 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.162 1.236 -0.566 1.00 0.00 C ATOM 1061 C GLU A 72 -17.880 1.361 0.928 1.00 0.00 C ATOM 1062 O GLU A 72 -18.491 0.673 1.748 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.026 -0.229 -1.000 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.326 -0.481 -2.476 1.00 0.00 C ATOM 1065 CD GLU A 72 -17.307 0.147 -3.408 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -16.095 0.045 -3.122 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -17.715 0.769 -4.408 1.00 0.00 O ATOM 0 H GLU A 72 -16.454 1.588 -1.719 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.181 1.564 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.012 -0.566 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.699 -0.838 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.359 -1.556 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.315 -0.088 -2.711 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.927 2.238 1.256 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.555 2.545 2.638 1.00 0.00 C ATOM 1076 C ARG A 73 -15.843 1.353 3.281 1.00 0.00 C ATOM 1077 O ARG A 73 -15.758 1.239 4.505 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.795 2.966 3.440 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.500 3.849 4.645 1.00 0.00 C ATOM 1080 CD ARG A 73 -18.773 4.513 5.148 1.00 0.00 C ATOM 1081 NE ARG A 73 -18.541 5.395 6.295 1.00 0.00 N ATOM 1082 CZ ARG A 73 -18.456 6.724 6.215 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -18.477 7.331 5.033 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -18.332 7.445 7.325 1.00 0.00 N ATOM 0 H ARG A 73 -16.388 2.758 0.564 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.857 3.382 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.478 3.496 2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.313 2.069 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.057 3.251 5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.769 4.611 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.221 5.089 4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -19.492 3.743 5.428 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.438 4.965 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.559 6.780 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.412 8.348 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.302 6.982 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.267 8.461 7.268 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.304 0.480 2.436 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.536 -0.667 2.899 1.00 0.00 C ATOM 1100 C ASN A 74 -13.075 -0.283 3.028 1.00 0.00 C ATOM 1101 O ASN A 74 -12.495 0.290 2.105 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.658 -1.856 1.939 1.00 0.00 C ATOM 1103 CG ASN A 74 -15.977 -2.599 2.050 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -17.045 -1.886 2.372 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 -16.035 -3.811 1.848 1.00 0.00 N flip ATOM 0 H ASN A 74 -15.387 0.547 1.422 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.938 -0.966 3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.537 -1.499 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.842 -2.552 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.191 -4.328 1.602 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.927 -4.299 1.927 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.489 -0.591 4.166 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.097 -0.263 4.411 1.00 0.00 C ATOM 1114 C ARG A 75 -10.214 -1.482 4.217 1.00 0.00 C ATOM 1115 O ARG A 75 -10.518 -2.567 4.702 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.919 0.303 5.817 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.527 1.685 5.984 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.418 2.175 7.415 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.211 1.361 8.332 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.168 1.482 9.658 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -11.382 2.396 10.216 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -12.919 0.701 10.424 1.00 0.00 N ATOM 0 H ARG A 75 -12.954 -1.069 4.938 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.796 0.497 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.375 -0.377 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.856 0.350 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.024 2.387 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.575 1.660 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.373 2.158 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.750 3.212 7.470 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.834 0.659 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.812 3.005 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.349 2.489 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.531 0.006 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.884 0.796 11.439 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.129 -1.291 3.488 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.159 -2.342 3.249 1.00 0.00 C ATOM 1138 C TYR A 76 -6.767 -1.824 3.579 1.00 0.00 C ATOM 1139 O TYR A 76 -6.510 -0.622 3.490 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.196 -2.805 1.786 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.560 -3.250 1.300 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.009 -4.544 1.518 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.392 -2.374 0.611 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.249 -4.957 1.063 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.633 -2.778 0.156 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.058 -4.067 0.382 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.293 -4.471 -0.079 1.00 0.00 O ATOM 0 H TYR A 76 -8.896 -0.402 3.045 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.406 -3.192 3.885 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.847 -1.990 1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.494 -3.629 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.380 -5.241 2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.063 -1.362 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.583 -5.969 1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.267 -2.084 -0.375 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.733 -3.723 -0.535 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.884 -2.721 3.965 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.508 -2.363 4.238 1.00 0.00 C ATOM 1159 C CYS A 77 -3.620 -2.986 3.170 1.00 0.00 C ATOM 1160 O CYS A 77 -3.637 -4.205 2.966 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.100 -2.837 5.632 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.625 -2.020 6.288 1.00 0.00 S ATOM 0 H CYS A 77 -6.097 -3.710 4.097 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.396 -1.279 4.213 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.930 -2.670 6.318 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.923 -3.912 5.601 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.893 -0.772 6.533 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.872 -2.152 2.472 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.094 -2.603 1.331 1.00 0.00 C ATOM 1170 C LEU A 78 -0.604 -2.555 1.614 1.00 0.00 C ATOM 1171 O LEU A 78 -0.066 -1.531 2.040 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.418 -1.756 0.097 1.00 0.00 C ATOM 1173 CG LEU A 78 -3.877 -1.801 -0.357 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.083 -0.922 -1.577 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.305 -3.231 -0.652 1.00 0.00 C ATOM 0 H LEU A 78 -2.786 -1.156 2.675 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.366 -3.641 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.151 -0.720 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.787 -2.087 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.498 -1.418 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.127 -0.967 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.821 0.107 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.449 -1.274 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.346 -3.240 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.678 -3.643 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.198 -3.836 0.248 1.00 0.00 H new ATOM 1187 N GLU A 79 0.049 -3.676 1.374 1.00 0.00 N ATOM 1188 CA GLU A 79 1.490 -3.774 1.456 1.00 0.00 C ATOM 1189 C GLU A 79 2.074 -3.579 0.062 1.00 0.00 C ATOM 1190 O GLU A 79 2.124 -4.512 -0.742 1.00 0.00 O ATOM 1191 CB GLU A 79 1.885 -5.139 2.027 1.00 0.00 C ATOM 1192 CG GLU A 79 3.382 -5.361 2.149 1.00 0.00 C ATOM 1193 CD GLU A 79 3.717 -6.709 2.755 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.545 -7.738 2.069 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.161 -6.752 3.923 1.00 0.00 O ATOM 0 H GLU A 79 -0.411 -4.549 1.115 1.00 0.00 H new ATOM 0 HA GLU A 79 1.883 -3.003 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.432 -5.251 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.465 -5.919 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.840 -5.285 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.815 -4.571 2.763 1.00 0.00 H new ATOM 1202 N LEU A 80 2.459 -2.350 -0.235 1.00 0.00 N ATOM 1203 CA LEU A 80 3.014 -2.018 -1.533 1.00 0.00 C ATOM 1204 C LEU A 80 4.495 -2.371 -1.564 1.00 0.00 C ATOM 1205 O LEU A 80 5.295 -1.805 -0.818 1.00 0.00 O ATOM 1206 CB LEU A 80 2.794 -0.532 -1.837 1.00 0.00 C ATOM 1207 CG LEU A 80 3.281 -0.058 -3.210 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.598 -0.837 -4.323 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.028 1.431 -3.376 1.00 0.00 C ATOM 0 H LEU A 80 2.396 -1.562 0.410 1.00 0.00 H new ATOM 0 HA LEU A 80 2.506 -2.598 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.729 -0.317 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.298 0.056 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 80 4.354 -0.240 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.959 -0.484 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.825 -1.898 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.520 -0.689 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.379 1.753 -4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.960 1.630 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.563 1.980 -2.601 1.00 0.00 H new ATOM 1221 N THR A 81 4.846 -3.325 -2.407 1.00 0.00 N ATOM 1222 CA THR A 81 6.213 -3.815 -2.488 1.00 0.00 C ATOM 1223 C THR A 81 6.655 -3.953 -3.940 1.00 0.00 C ATOM 1224 O THR A 81 5.992 -3.451 -4.851 1.00 0.00 O ATOM 1225 CB THR A 81 6.339 -5.186 -1.791 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.309 -6.063 -2.265 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.243 -5.049 -0.278 1.00 0.00 C ATOM 0 H THR A 81 4.199 -3.780 -3.051 1.00 0.00 H new ATOM 0 HA THR A 81 6.854 -3.091 -1.986 1.00 0.00 H new ATOM 0 HB THR A 81 7.318 -5.602 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.392 -6.934 -1.823 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.335 -6.032 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.045 -4.403 0.080 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.280 -4.613 -0.013 1.00 0.00 H new ATOM 1235 N GLU A 82 7.775 -4.638 -4.153 1.00 0.00 N ATOM 1236 CA GLU A 82 8.271 -4.914 -5.499 1.00 0.00 C ATOM 1237 C GLU A 82 7.307 -5.834 -6.248 1.00 0.00 C ATOM 1238 O GLU A 82 7.324 -5.904 -7.475 1.00 0.00 O ATOM 1239 CB GLU A 82 9.649 -5.573 -5.427 1.00 0.00 C ATOM 1240 CG GLU A 82 9.632 -6.925 -4.732 1.00 0.00 C ATOM 1241 CD GLU A 82 10.984 -7.601 -4.724 1.00 0.00 C ATOM 1242 OE1 GLU A 82 11.352 -8.215 -5.746 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.678 -7.531 -3.688 1.00 0.00 O ATOM 0 H GLU A 82 8.359 -5.014 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 82 8.348 -3.968 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.039 -5.696 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.335 -4.910 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.290 -6.795 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.910 -7.574 -5.228 1.00 0.00 H new ATOM 1250 N ALA A 83 6.464 -6.533 -5.493 1.00 0.00 N ATOM 1251 CA ALA A 83 5.504 -7.461 -6.071 1.00 0.00 C ATOM 1252 C ALA A 83 4.180 -6.764 -6.350 1.00 0.00 C ATOM 1253 O ALA A 83 3.214 -7.392 -6.780 1.00 0.00 O ATOM 1254 CB ALA A 83 5.295 -8.649 -5.143 1.00 0.00 C ATOM 0 H ALA A 83 6.429 -6.472 -4.475 1.00 0.00 H new ATOM 0 HA ALA A 83 5.903 -7.823 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.574 -9.336 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.243 -9.165 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.917 -8.298 -4.183 1.00 0.00 H new ATOM 1260 N GLY A 84 4.143 -5.463 -6.094 1.00 0.00 N ATOM 1261 CA GLY A 84 2.947 -4.694 -6.340 1.00 0.00 C ATOM 1262 C GLY A 84 2.144 -4.464 -5.082 1.00 0.00 C ATOM 1263 O GLY A 84 2.707 -4.274 -4.000 1.00 0.00 O ATOM 0 H GLY A 84 4.926 -4.928 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.219 -3.733 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.329 -5.212 -7.073 1.00 0.00 H new ATOM 1267 N LEU A 85 0.831 -4.488 -5.226 1.00 0.00 N ATOM 1268 CA LEU A 85 -0.073 -4.232 -4.123 1.00 0.00 C ATOM 1269 C LEU A 85 -0.641 -5.542 -3.591 1.00 0.00 C ATOM 1270 O LEU A 85 -1.343 -6.268 -4.303 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.218 -3.298 -4.550 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.815 -1.884 -4.992 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.258 -1.888 -6.408 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -2.003 -0.939 -4.891 1.00 0.00 C ATOM 0 H LEU A 85 0.363 -4.685 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 85 0.493 -3.740 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.758 -3.772 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.916 -3.210 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.029 -1.533 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.019 -0.873 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.622 -2.530 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.015 -2.264 -7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.702 0.059 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.808 -1.296 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.352 -0.902 -3.859 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.315 -5.841 -2.349 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.787 -7.045 -1.685 1.00 0.00 C ATOM 1288 C LYS A 86 -1.671 -6.668 -0.505 1.00 0.00 C ATOM 1289 O LYS A 86 -1.347 -5.754 0.245 1.00 0.00 O ATOM 1290 CB LYS A 86 0.419 -7.859 -1.216 1.00 0.00 C ATOM 1291 CG LYS A 86 0.105 -8.925 -0.182 1.00 0.00 C ATOM 1292 CD LYS A 86 1.386 -9.414 0.468 1.00 0.00 C ATOM 1293 CE LYS A 86 1.156 -9.929 1.877 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.444 -10.137 2.592 1.00 0.00 N ATOM 0 H LYS A 86 0.286 -5.256 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.376 -7.646 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.876 -8.337 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.160 -7.177 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.566 -8.521 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.414 -9.759 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.820 -10.208 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.111 -8.600 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.541 -9.219 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.603 -10.868 1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.280 -10.105 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.839 -11.064 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.114 -9.388 2.325 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.787 -7.355 -0.343 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.692 -7.060 0.757 1.00 0.00 C ATOM 1310 C VAL A 87 -3.263 -7.816 2.011 1.00 0.00 C ATOM 1311 O VAL A 87 -3.364 -9.042 2.074 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.151 -7.422 0.406 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.092 -7.104 1.561 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.590 -6.698 -0.857 1.00 0.00 C ATOM 0 H VAL A 87 -3.088 -8.115 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.644 -5.987 0.943 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.196 -8.496 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.112 -7.370 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.795 -7.675 2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.044 -6.039 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.621 -6.965 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.520 -5.621 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.944 -6.988 -1.686 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.775 -7.078 3.001 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.321 -7.675 4.256 1.00 0.00 C ATOM 1326 C VAL A 88 -3.444 -7.723 5.280 1.00 0.00 C ATOM 1327 O VAL A 88 -3.286 -8.276 6.368 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.118 -6.917 4.849 1.00 0.00 C ATOM 1329 CG1 VAL A 88 0.152 -7.274 4.100 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.353 -5.415 4.813 1.00 0.00 C ATOM 0 H VAL A 88 -2.683 -6.063 2.961 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.007 -8.692 4.022 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.005 -7.218 5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.993 -6.731 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.333 -8.346 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.044 -7.002 3.050 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.490 -4.901 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.496 -5.094 3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.242 -5.172 5.395 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.575 -7.140 4.919 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.727 -7.140 5.791 1.00 0.00 C ATOM 1342 C GLY A 89 -6.802 -6.209 5.286 1.00 0.00 C ATOM 1343 O GLY A 89 -6.545 -5.376 4.418 1.00 0.00 O ATOM 0 H GLY A 89 -4.715 -6.663 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.127 -8.151 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.425 -6.839 6.794 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.006 -6.351 5.808 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.096 -5.460 5.445 1.00 0.00 C ATOM 1349 C TYR A 90 -9.593 -4.708 6.670 1.00 0.00 C ATOM 1350 O TYR A 90 -10.623 -5.034 7.262 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.235 -6.203 4.722 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.682 -7.497 5.371 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -9.948 -8.663 5.208 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -11.845 -7.554 6.129 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.355 -9.849 5.787 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -12.261 -8.735 6.711 1.00 0.00 C ATOM 1357 CZ TYR A 90 -11.515 -9.881 6.536 1.00 0.00 C ATOM 1358 OH TYR A 90 -11.927 -11.062 7.114 1.00 0.00 O ATOM 0 H TYR A 90 -8.255 -7.073 6.484 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.711 -4.730 4.733 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.094 -5.536 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.915 -6.419 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.043 -8.643 4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.434 -6.659 6.265 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.769 -10.747 5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.166 -8.761 7.300 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.760 -10.912 7.607 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.801 -3.723 7.063 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.099 -2.860 8.191 1.00 0.00 C ATOM 1370 C ALA A 91 -8.131 -1.688 8.183 1.00 0.00 C ATOM 1371 O ALA A 91 -7.281 -1.593 7.297 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.996 -3.629 9.501 1.00 0.00 C ATOM 0 H ALA A 91 -7.921 -3.499 6.599 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.121 -2.491 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.223 -2.963 10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.706 -4.456 9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.985 -4.020 9.615 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.251 -0.802 9.157 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.350 0.334 9.260 1.00 0.00 C ATOM 1380 C PHE A 92 -6.131 -0.066 10.084 1.00 0.00 C ATOM 1381 O PHE A 92 -6.227 -0.246 11.302 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.070 1.528 9.894 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.453 2.859 9.566 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.550 3.382 8.285 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -6.790 3.589 10.536 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -6.996 4.610 7.981 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -6.233 4.817 10.238 1.00 0.00 C ATOM 1388 CZ PHE A 92 -6.335 5.328 8.958 1.00 0.00 C ATOM 0 H PHE A 92 -8.962 -0.847 9.887 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.023 0.632 8.264 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.109 1.530 9.564 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.079 1.400 10.976 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.064 2.823 7.517 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.707 3.194 11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.080 5.008 6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.718 5.377 11.004 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.898 6.287 8.722 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.000 -0.225 9.398 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.760 -0.721 10.002 1.00 0.00 C ATOM 1400 C ASP A 93 -3.937 -2.159 10.477 1.00 0.00 C ATOM 1401 O ASP A 93 -4.157 -2.417 11.660 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.283 0.162 11.163 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.975 1.583 10.738 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.153 1.772 9.819 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -3.552 2.520 11.326 1.00 0.00 O ATOM 0 H ASP A 93 -4.916 -0.013 8.404 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.992 -0.686 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.049 0.178 11.938 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.391 -0.280 11.606 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.870 -3.085 9.533 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.005 -4.505 9.815 1.00 0.00 C ATOM 1412 C GLN A 94 -3.123 -5.286 8.851 1.00 0.00 C ATOM 1413 O GLN A 94 -3.413 -5.356 7.659 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.469 -4.941 9.673 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.698 -6.429 9.895 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.382 -6.878 11.311 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -4.252 -7.252 11.621 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -6.380 -6.851 12.180 1.00 0.00 N ATOM 0 H GLN A 94 -3.720 -2.872 8.547 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.691 -4.705 10.839 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.075 -4.381 10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.821 -4.675 8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.737 -6.668 9.668 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.081 -6.993 9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.304 -6.534 11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.225 -7.147 13.144 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.039 -5.851 9.360 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.056 -6.503 8.505 1.00 0.00 C ATOM 1429 C VAL A 95 -0.810 -7.946 8.916 1.00 0.00 C ATOM 1430 O VAL A 95 -0.430 -8.225 10.054 1.00 0.00 O ATOM 1431 CB VAL A 95 0.288 -5.739 8.508 1.00 0.00 C ATOM 1432 CG1 VAL A 95 1.351 -6.499 7.726 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.097 -4.348 7.930 1.00 0.00 C ATOM 0 H VAL A 95 -1.817 -5.872 10.355 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.474 -6.494 7.498 1.00 0.00 H new ATOM 0 HB VAL A 95 0.630 -5.650 9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.286 -5.939 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.505 -7.478 8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.023 -6.624 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.049 -3.817 7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.268 -4.426 6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.628 -3.800 8.532 1.00 0.00 H new ATOM 1443 N ASP A 96 -1.053 -8.851 7.982 1.00 0.00 N ATOM 1444 CA ASP A 96 -0.687 -10.248 8.142 1.00 0.00 C ATOM 1445 C ASP A 96 -0.310 -10.818 6.785 1.00 0.00 C ATOM 1446 O ASP A 96 -0.919 -10.475 5.770 1.00 0.00 O ATOM 1447 CB ASP A 96 -1.835 -11.053 8.737 1.00 0.00 C ATOM 1448 CG ASP A 96 -1.357 -12.331 9.389 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -1.062 -13.303 8.664 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -1.285 -12.375 10.634 1.00 0.00 O ATOM 0 H ASP A 96 -1.508 -8.638 7.094 1.00 0.00 H new ATOM 0 HA ASP A 96 0.159 -10.313 8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.360 -10.445 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.553 -11.293 7.953 1.00 0.00 H new ATOM 1455 N ASP A 97 0.685 -11.683 6.763 1.00 0.00 N ATOM 1456 CA ASP A 97 1.193 -12.223 5.511 1.00 0.00 C ATOM 1457 C ASP A 97 0.456 -13.497 5.115 1.00 0.00 C ATOM 1458 O ASP A 97 0.734 -14.081 4.068 1.00 0.00 O ATOM 1459 CB ASP A 97 2.693 -12.510 5.626 1.00 0.00 C ATOM 1460 CG ASP A 97 2.999 -13.638 6.591 1.00 0.00 C ATOM 1461 OD1 ASP A 97 3.156 -13.367 7.803 1.00 0.00 O ATOM 1462 OD2 ASP A 97 3.092 -14.800 6.144 1.00 0.00 O ATOM 0 H ASP A 97 1.160 -12.029 7.597 1.00 0.00 H new ATOM 0 HA ASP A 97 1.025 -11.475 4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.087 -12.762 4.642 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.208 -11.607 5.954 1.00 0.00 H new ATOM 1467 N HIS A 98 -0.486 -13.928 5.943 1.00 0.00 N ATOM 1468 CA HIS A 98 -1.172 -15.194 5.709 1.00 0.00 C ATOM 1469 C HIS A 98 -2.530 -15.000 5.045 1.00 0.00 C ATOM 1470 O HIS A 98 -3.250 -15.971 4.807 1.00 0.00 O ATOM 1471 CB HIS A 98 -1.324 -15.965 7.017 1.00 0.00 C ATOM 1472 CG HIS A 98 -0.013 -16.293 7.654 1.00 0.00 C ATOM 1473 ND1 HIS A 98 0.552 -15.519 8.638 1.00 0.00 N ATOM 1474 CD2 HIS A 98 0.866 -17.290 7.409 1.00 0.00 C ATOM 1475 CE1 HIS A 98 1.720 -16.027 8.977 1.00 0.00 C ATOM 1476 NE2 HIS A 98 1.942 -17.104 8.243 1.00 0.00 N ATOM 0 H HIS A 98 -0.792 -13.425 6.776 1.00 0.00 H new ATOM 0 HA HIS A 98 -0.557 -15.773 5.021 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.923 -15.377 7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -1.871 -16.888 6.827 1.00 0.00 H new ATOM 0 HD1 HIS A 98 0.133 -14.682 9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.745 -18.087 6.690 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.385 -15.630 9.729 1.00 0.00 H new ATOM 1485 N LEU A 99 -2.895 -13.757 4.765 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.083 -13.499 3.964 1.00 0.00 C ATOM 1487 C LEU A 99 -3.795 -13.806 2.503 1.00 0.00 C ATOM 1488 O LEU A 99 -2.880 -13.233 1.903 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.582 -12.059 4.120 1.00 0.00 C ATOM 1490 CG LEU A 99 -5.388 -11.782 5.392 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -4.482 -11.737 6.612 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.171 -10.487 5.251 1.00 0.00 C ATOM 0 H LEU A 99 -2.395 -12.924 5.075 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.876 -14.154 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.722 -11.389 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.199 -11.810 3.257 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.096 -12.599 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.080 -11.539 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.973 -12.694 6.723 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.743 -10.945 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.739 -10.304 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.480 -9.661 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.856 -10.566 4.407 1.00 0.00 H new ATOM 1504 N GLN A 100 -4.572 -14.712 1.935 1.00 0.00 N ATOM 1505 CA GLN A 100 -4.327 -15.187 0.583 1.00 0.00 C ATOM 1506 C GLN A 100 -4.972 -14.273 -0.445 1.00 0.00 C ATOM 1507 O GLN A 100 -6.017 -14.591 -1.014 1.00 0.00 O ATOM 1508 CB GLN A 100 -4.834 -16.621 0.415 1.00 0.00 C ATOM 1509 CG GLN A 100 -4.142 -17.609 1.334 1.00 0.00 C ATOM 1510 CD GLN A 100 -2.650 -17.690 1.081 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -2.187 -17.520 -0.049 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -1.887 -17.936 2.130 1.00 0.00 N ATOM 0 H GLN A 100 -5.381 -15.135 2.390 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.250 -15.177 0.416 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.907 -16.645 0.607 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.688 -16.933 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.316 -17.320 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.584 -18.596 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.310 -18.071 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.874 -17.991 2.022 1.00 0.00 H new ATOM 1521 N THR A 101 -4.359 -13.124 -0.653 1.00 0.00 N ATOM 1522 CA THR A 101 -4.816 -12.190 -1.660 1.00 0.00 C ATOM 1523 C THR A 101 -3.806 -12.118 -2.800 1.00 0.00 C ATOM 1524 O THR A 101 -2.597 -12.057 -2.563 1.00 0.00 O ATOM 1525 CB THR A 101 -5.042 -10.789 -1.058 1.00 0.00 C ATOM 1526 OG1 THR A 101 -3.857 -10.346 -0.380 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.212 -10.814 -0.085 1.00 0.00 C ATOM 0 H THR A 101 -3.538 -12.815 -0.133 1.00 0.00 H new ATOM 0 HA THR A 101 -5.770 -12.547 -2.048 1.00 0.00 H new ATOM 0 HB THR A 101 -5.271 -10.096 -1.868 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.728 -10.876 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.360 -9.818 0.332 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.115 -11.125 -0.610 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.000 -11.517 0.721 1.00 0.00 H new ATOM 1535 N PRO A 102 -4.290 -12.167 -4.051 1.00 0.00 N ATOM 1536 CA PRO A 102 -3.427 -12.146 -5.234 1.00 0.00 C ATOM 1537 C PRO A 102 -2.645 -10.845 -5.368 1.00 0.00 C ATOM 1538 O PRO A 102 -3.221 -9.752 -5.357 1.00 0.00 O ATOM 1539 CB PRO A 102 -4.403 -12.303 -6.404 1.00 0.00 C ATOM 1540 CG PRO A 102 -5.730 -11.893 -5.864 1.00 0.00 C ATOM 1541 CD PRO A 102 -5.716 -12.255 -4.407 1.00 0.00 C ATOM 0 HA PRO A 102 -2.670 -12.928 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.111 -11.677 -7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.425 -13.332 -6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.892 -10.824 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.538 -12.406 -6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.322 -11.568 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.112 -13.256 -4.237 1.00 0.00 H new ATOM 1549 N TYR A 103 -1.331 -10.973 -5.475 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.465 -9.831 -5.727 1.00 0.00 C ATOM 1551 C TYR A 103 -0.820 -9.202 -7.068 1.00 0.00 C ATOM 1552 O TYR A 103 -0.810 -9.876 -8.099 1.00 0.00 O ATOM 1553 CB TYR A 103 1.011 -10.251 -5.761 1.00 0.00 C ATOM 1554 CG TYR A 103 1.526 -10.896 -4.491 1.00 0.00 C ATOM 1555 CD1 TYR A 103 1.416 -12.264 -4.290 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.151 -10.139 -3.508 1.00 0.00 C ATOM 1557 CE1 TYR A 103 1.904 -12.859 -3.144 1.00 0.00 C ATOM 1558 CE2 TYR A 103 2.649 -10.729 -2.362 1.00 0.00 C ATOM 1559 CZ TYR A 103 2.522 -12.090 -2.184 1.00 0.00 C ATOM 1560 OH TYR A 103 3.027 -12.686 -1.051 1.00 0.00 O ATOM 0 H TYR A 103 -0.839 -11.862 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.613 -9.115 -4.918 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.156 -10.947 -6.588 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.618 -9.371 -5.975 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.940 -12.874 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.249 -9.072 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.801 -13.925 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.136 -10.127 -1.609 1.00 0.00 H new ATOM 0 HH TYR A 103 3.432 -12.004 -0.475 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.153 -7.924 -7.063 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.402 -7.216 -8.309 1.00 0.00 C ATOM 1572 C HIS A 104 -0.291 -6.227 -8.581 1.00 0.00 C ATOM 1573 O HIS A 104 0.188 -5.553 -7.677 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.745 -6.492 -8.299 1.00 0.00 C ATOM 1575 CG HIS A 104 -3.917 -7.385 -8.562 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.423 -7.587 -9.825 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.692 -8.121 -7.728 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.458 -8.399 -9.760 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.644 -8.738 -8.501 1.00 0.00 N ATOM 0 H HIS A 104 -1.257 -7.358 -6.221 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.432 -7.962 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.879 -6.009 -7.331 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.727 -5.702 -9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.581 -8.206 -6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.054 -8.731 -10.598 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.377 -9.358 -8.156 1.00 0.00 H new ATOM 1588 N GLU A 105 0.088 -6.131 -9.835 1.00 0.00 N ATOM 1589 CA GLU A 105 1.203 -5.286 -10.236 1.00 0.00 C ATOM 1590 C GLU A 105 0.793 -3.829 -10.253 1.00 0.00 C ATOM 1591 O GLU A 105 1.617 -2.934 -10.062 1.00 0.00 O ATOM 1592 CB GLU A 105 1.690 -5.693 -11.619 1.00 0.00 C ATOM 1593 CG GLU A 105 2.254 -7.097 -11.669 1.00 0.00 C ATOM 1594 CD GLU A 105 2.449 -7.586 -13.085 1.00 0.00 C ATOM 1595 OE1 GLU A 105 3.031 -6.840 -13.900 1.00 0.00 O ATOM 1596 OE2 GLU A 105 1.993 -8.706 -13.396 1.00 0.00 O ATOM 0 H GLU A 105 -0.360 -6.629 -10.604 1.00 0.00 H new ATOM 0 HA GLU A 105 2.008 -5.415 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.863 -5.617 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.455 -4.990 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.209 -7.122 -11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.583 -7.775 -11.142 1.00 0.00 H new ATOM 1603 N THR A 106 -0.485 -3.598 -10.488 1.00 0.00 N ATOM 1604 CA THR A 106 -1.000 -2.253 -10.608 1.00 0.00 C ATOM 1605 C THR A 106 -2.246 -2.074 -9.752 1.00 0.00 C ATOM 1606 O THR A 106 -2.995 -3.029 -9.520 1.00 0.00 O ATOM 1607 CB THR A 106 -1.328 -1.925 -12.078 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.232 -2.906 -12.612 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.061 -1.890 -12.919 1.00 0.00 C ATOM 0 H THR A 106 -1.186 -4.330 -10.600 1.00 0.00 H new ATOM 0 HA THR A 106 -0.229 -1.567 -10.256 1.00 0.00 H new ATOM 0 HB THR A 106 -1.797 -0.942 -12.111 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.436 -2.689 -13.546 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.317 -1.657 -13.953 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.613 -1.126 -12.531 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.430 -2.862 -12.877 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.459 -0.852 -9.277 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.629 -0.536 -8.469 1.00 0.00 C ATOM 1619 C VAL A 107 -4.901 -0.637 -9.310 1.00 0.00 C ATOM 1620 O VAL A 107 -5.987 -0.858 -8.781 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.519 0.876 -7.843 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.447 1.952 -8.917 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.676 1.145 -6.887 1.00 0.00 C ATOM 0 H VAL A 107 -1.834 -0.062 -9.439 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.678 -1.263 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.592 0.910 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.370 2.932 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.572 1.782 -9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.347 1.914 -9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.573 2.144 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.619 1.077 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.664 0.407 -6.085 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.740 -0.517 -10.624 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.860 -0.562 -11.558 1.00 0.00 C ATOM 1635 C TYR A 108 -6.651 -1.857 -11.405 1.00 0.00 C ATOM 1636 O TYR A 108 -7.820 -1.844 -11.011 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.347 -0.431 -12.997 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.656 0.885 -13.292 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -3.401 1.172 -12.766 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -5.260 1.842 -14.101 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -2.770 2.371 -13.035 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -4.633 3.042 -14.376 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.390 3.302 -13.840 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.764 4.499 -14.108 1.00 0.00 O ATOM 0 H TYR A 108 -3.832 -0.386 -11.071 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.524 0.272 -11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.653 -1.247 -13.199 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.186 -0.550 -13.682 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.911 0.444 -12.136 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -6.235 1.644 -14.521 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.796 2.578 -12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.115 3.773 -15.008 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.334 5.043 -14.691 1.00 0.00 H new ATOM 1654 N SER A 109 -5.995 -2.976 -11.686 1.00 0.00 N ATOM 1655 CA SER A 109 -6.651 -4.274 -11.665 1.00 0.00 C ATOM 1656 C SER A 109 -7.003 -4.699 -10.239 1.00 0.00 C ATOM 1657 O SER A 109 -7.860 -5.552 -10.036 1.00 0.00 O ATOM 1658 CB SER A 109 -5.748 -5.320 -12.319 1.00 0.00 C ATOM 1659 OG SER A 109 -5.236 -4.849 -13.555 1.00 0.00 O ATOM 0 H SER A 109 -5.006 -3.009 -11.932 1.00 0.00 H new ATOM 0 HA SER A 109 -7.581 -4.194 -12.227 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.923 -5.564 -11.649 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.310 -6.240 -12.481 1.00 0.00 H new ATOM 0 HG SER A 109 -4.660 -5.535 -13.953 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.348 -4.098 -9.251 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.610 -4.436 -7.859 1.00 0.00 C ATOM 1667 C LEU A 110 -7.857 -3.729 -7.350 1.00 0.00 C ATOM 1668 O LEU A 110 -8.783 -4.367 -6.857 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.427 -4.059 -6.971 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.654 -4.317 -5.483 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.607 -5.807 -5.179 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.640 -3.565 -4.645 1.00 0.00 C ATOM 0 H LEU A 110 -5.637 -3.380 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.764 -5.514 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.550 -4.619 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.201 -3.002 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.647 -3.950 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.771 -5.966 -4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.384 -6.319 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.632 -6.205 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.822 -3.764 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.635 -3.894 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.733 -2.496 -4.834 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.886 -2.410 -7.479 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.993 -1.624 -6.959 1.00 0.00 C ATOM 1686 C LEU A 111 -10.283 -1.996 -7.690 1.00 0.00 C ATOM 1687 O LEU A 111 -11.379 -1.864 -7.150 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.696 -0.128 -7.107 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.509 0.798 -6.195 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.193 0.523 -4.728 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.230 2.254 -6.530 1.00 0.00 C ATOM 0 H LEU A 111 -7.157 -1.864 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.120 -1.843 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.636 0.036 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.877 0.160 -8.143 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.567 0.598 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.780 1.191 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.441 -0.512 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.132 0.693 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.815 2.897 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.169 2.463 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.505 2.448 -7.567 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.134 -2.497 -8.913 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.279 -2.939 -9.709 1.00 0.00 C ATOM 1705 C ASP A 112 -11.945 -4.167 -9.090 1.00 0.00 C ATOM 1706 O ASP A 112 -13.170 -4.308 -9.129 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.854 -3.261 -11.141 1.00 0.00 C ATOM 1708 CG ASP A 112 -12.029 -3.695 -11.991 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.876 -2.841 -12.305 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.121 -4.893 -12.336 1.00 0.00 O ATOM 0 H ASP A 112 -9.232 -2.608 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.998 -2.120 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.387 -2.383 -11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.103 -4.051 -11.129 1.00 0.00 H new ATOM 1715 N THR A 113 -11.142 -5.048 -8.498 1.00 0.00 N ATOM 1716 CA THR A 113 -11.664 -6.277 -7.901 1.00 0.00 C ATOM 1717 C THR A 113 -12.384 -5.981 -6.590 1.00 0.00 C ATOM 1718 O THR A 113 -13.038 -6.850 -6.010 1.00 0.00 O ATOM 1719 CB THR A 113 -10.544 -7.313 -7.638 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.591 -6.805 -6.697 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.827 -7.676 -8.925 1.00 0.00 C ATOM 0 H THR A 113 -10.131 -4.936 -8.418 1.00 0.00 H new ATOM 0 HA THR A 113 -12.367 -6.699 -8.619 1.00 0.00 H new ATOM 0 HB THR A 113 -11.016 -8.206 -7.227 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.685 -5.832 -6.630 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.045 -8.405 -8.713 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.540 -8.103 -9.630 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.380 -6.781 -9.358 1.00 0.00 H new ATOM 1729 N LEU A 114 -12.271 -4.742 -6.138 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.824 -4.342 -4.858 1.00 0.00 C ATOM 1731 C LEU A 114 -13.984 -3.371 -5.047 1.00 0.00 C ATOM 1732 O LEU A 114 -15.028 -3.504 -4.407 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.722 -3.703 -4.013 1.00 0.00 C ATOM 1734 CG LEU A 114 -10.483 -4.580 -3.812 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -9.318 -3.761 -3.288 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.792 -5.727 -2.861 1.00 0.00 C ATOM 0 H LEU A 114 -11.798 -3.993 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 114 -13.210 -5.223 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -11.417 -2.769 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -12.133 -3.448 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.201 -4.994 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -8.450 -4.407 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.077 -2.973 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -9.589 -3.314 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.901 -6.340 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.103 -5.326 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.594 -6.337 -3.276 1.00 0.00 H new ATOM 1748 N SER A 115 -13.798 -2.406 -5.935 1.00 0.00 N ATOM 1749 CA SER A 115 -14.812 -1.398 -6.196 1.00 0.00 C ATOM 1750 C SER A 115 -15.280 -1.434 -7.646 1.00 0.00 C ATOM 1751 O SER A 115 -14.479 -1.296 -8.571 1.00 0.00 O ATOM 1752 CB SER A 115 -14.261 -0.012 -5.872 1.00 0.00 C ATOM 1753 OG SER A 115 -13.890 0.075 -4.511 1.00 0.00 O ATOM 0 H SER A 115 -12.948 -2.300 -6.490 1.00 0.00 H new ATOM 0 HA SER A 115 -15.669 -1.616 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.397 0.198 -6.503 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.012 0.745 -6.098 1.00 0.00 H new ATOM 0 HG SER A 115 -14.627 -0.246 -3.950 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.591 -1.618 -7.863 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.189 -1.515 -9.194 1.00 0.00 C ATOM 1761 C PRO A 116 -17.243 -0.067 -9.655 1.00 0.00 C ATOM 1762 O PRO A 116 -17.373 0.228 -10.842 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.600 -2.067 -8.998 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.903 -1.834 -7.557 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.591 -1.954 -6.829 1.00 0.00 C ATOM 0 HA PRO A 116 -16.621 -2.053 -9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.317 -1.557 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.648 -3.127 -9.246 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.344 -0.849 -7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.622 -2.565 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.538 -1.270 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.440 -2.960 -6.437 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.121 0.834 -8.688 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.134 2.260 -8.950 1.00 0.00 C ATOM 1775 C ALA A 117 -15.834 2.708 -9.606 1.00 0.00 C ATOM 1776 O ALA A 117 -15.724 3.837 -10.083 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.366 3.026 -7.661 1.00 0.00 C ATOM 0 H ALA A 117 -17.011 0.593 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 117 -17.950 2.472 -9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.374 4.096 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.324 2.733 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.567 2.800 -6.955 1.00 0.00 H new ATOM 1783 N TYR A 118 -14.854 1.811 -9.636 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.566 2.110 -10.237 1.00 0.00 C ATOM 1785 C TYR A 118 -13.725 2.355 -11.732 1.00 0.00 C ATOM 1786 O TYR A 118 -13.274 3.376 -12.251 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.575 0.970 -9.990 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.178 1.275 -10.480 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.363 2.160 -9.787 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -10.674 0.684 -11.633 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.088 2.449 -10.227 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -9.397 0.968 -12.078 1.00 0.00 C ATOM 1793 CZ TYR A 118 -8.609 1.852 -11.370 1.00 0.00 C ATOM 1794 OH TYR A 118 -7.340 2.140 -11.808 1.00 0.00 O ATOM 0 H TYR A 118 -14.931 0.870 -9.249 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.173 3.014 -9.772 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.539 0.754 -8.922 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.938 0.069 -10.485 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.734 2.630 -8.888 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.290 -0.007 -12.189 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.468 3.141 -9.676 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.018 0.501 -12.975 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.212 1.769 -12.706 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.386 1.426 -12.419 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.623 1.568 -13.852 1.00 0.00 C ATOM 1806 C ARG A 119 -15.675 2.630 -14.131 1.00 0.00 C ATOM 1807 O ARG A 119 -15.755 3.149 -15.239 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.035 0.240 -14.483 1.00 0.00 C ATOM 1809 CG ARG A 119 -13.864 -0.690 -14.730 1.00 0.00 C ATOM 1810 CD ARG A 119 -14.303 -1.970 -15.410 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.193 -3.114 -14.516 1.00 0.00 N ATOM 1812 CZ ARG A 119 -14.844 -4.258 -14.675 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -15.743 -4.383 -15.645 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.608 -5.265 -13.844 1.00 0.00 N ATOM 0 H ARG A 119 -14.765 0.572 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.683 1.884 -14.305 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.755 -0.257 -13.832 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.542 0.435 -15.428 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.122 -0.185 -15.348 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.381 -0.928 -13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.334 -1.869 -15.748 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.693 -2.140 -16.297 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.572 -3.029 -13.711 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -15.933 -3.598 -16.268 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.243 -5.264 -15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.930 -5.156 -13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.105 -6.148 -13.959 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.477 2.948 -13.125 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.432 4.042 -13.235 1.00 0.00 C ATOM 1830 C GLU A 120 -16.686 5.369 -13.309 1.00 0.00 C ATOM 1831 O GLU A 120 -16.855 6.143 -14.253 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.385 4.045 -12.040 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.231 2.788 -11.922 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.030 2.746 -10.635 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.057 3.764 -9.914 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -20.627 1.690 -10.331 1.00 0.00 O ATOM 0 H GLU A 120 -16.486 2.466 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.018 3.906 -14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -17.805 4.167 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.045 4.909 -12.117 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.912 2.731 -12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -18.584 1.912 -11.973 1.00 0.00 H new ATOM 1843 N ALA A 121 -15.835 5.606 -12.318 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.036 6.824 -12.258 1.00 0.00 C ATOM 1845 C ALA A 121 -14.034 6.875 -13.409 1.00 0.00 C ATOM 1846 O ALA A 121 -13.794 7.937 -13.993 1.00 0.00 O ATOM 1847 CB ALA A 121 -14.321 6.914 -10.919 1.00 0.00 C ATOM 0 H ALA A 121 -15.680 4.965 -11.540 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.703 7.681 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -13.727 7.827 -10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.056 6.929 -10.114 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -13.667 6.051 -10.797 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.453 5.723 -13.730 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.542 5.611 -14.863 1.00 0.00 C ATOM 1855 C PHE A 122 -13.291 5.882 -16.162 1.00 0.00 C ATOM 1856 O PHE A 122 -12.787 6.565 -17.055 1.00 0.00 O ATOM 1857 CB PHE A 122 -11.901 4.218 -14.895 1.00 0.00 C ATOM 1858 CG PHE A 122 -10.974 3.990 -16.057 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -9.714 4.566 -16.082 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -11.365 3.196 -17.125 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.861 4.355 -17.148 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.516 2.980 -18.193 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.263 3.560 -18.205 1.00 0.00 C ATOM 0 H PHE A 122 -13.598 4.852 -13.220 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.750 6.352 -14.754 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.348 4.064 -13.968 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -12.691 3.468 -14.923 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.395 5.187 -15.258 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -12.345 2.741 -17.122 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -7.882 4.810 -17.156 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -10.832 2.358 -19.018 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.598 3.393 -19.039 1.00 0.00 H new