USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 699 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 133 ASN : amide:sc= 0.828 K(o=0.83,f=-5.9!) USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc=-0.00161 USER MOD Set 2.1: A 120 TYR OH : rot 27:sc= -2.01! USER MOD Set 2.2: A 138 GLN : amide:sc= -2.18! C(o=-4.2!,f=-6.9!) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.981 K(o=-0.013,f=-5.9!) USER MOD Set 3.2: A 68 SER OG : rot 70:sc= 0.967 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.199 K(o=-0.2,f=-0.89) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 150:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-1.9!) USER MOD Single : A 85 SER OG : rot -12:sc= 0.883 USER MOD Single : A 93 THR OG1 : rot -97:sc= 1.26 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HE2:sc= -1.03 K(o=-1,f=-1.9!) USER MOD Single : A 105 ASN : amide:sc= -0.0545 K(o=-0.054,f=-2.1!) USER MOD Single : A 106 ASN : amide:sc= -3.72! C(o=-3.7!,f=-6.2!) USER MOD Single : A 109 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.7!) USER MOD Single : A 119 THR OG1 : rot 24:sc= 0.199 USER MOD Single : A 122 ASN : amide:sc= -0.636! C(o=-0.64!,f=-4.6!) USER MOD Single : A 128 SER OG : rot -21:sc= 0.512 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -13.628 -7.177 -4.530 1.00 0.00 N ATOM 417 CA GLY A 54 -12.880 -5.896 -4.696 1.00 0.00 C ATOM 418 C GLY A 54 -11.568 -5.962 -3.915 1.00 0.00 C ATOM 419 O GLY A 54 -11.352 -5.206 -2.991 1.00 0.00 O ATOM 0 HA2 GLY A 54 -12.677 -5.716 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.485 -5.062 -4.341 1.00 0.00 H new ATOM 423 N LEU A 55 -10.690 -6.866 -4.270 1.00 0.00 N ATOM 424 CA LEU A 55 -9.392 -6.991 -3.537 1.00 0.00 C ATOM 425 C LEU A 55 -8.294 -6.227 -4.273 1.00 0.00 C ATOM 426 O LEU A 55 -8.480 -5.739 -5.368 1.00 0.00 O ATOM 427 CB LEU A 55 -8.995 -8.465 -3.444 1.00 0.00 C ATOM 428 CG LEU A 55 -10.099 -9.262 -2.738 1.00 0.00 C ATOM 429 CD1 LEU A 55 -9.691 -10.737 -2.668 1.00 0.00 C ATOM 430 CD2 LEU A 55 -10.322 -8.710 -1.317 1.00 0.00 C ATOM 0 H LEU A 55 -10.816 -7.525 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.514 -6.574 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.826 -8.868 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.057 -8.564 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.029 -9.168 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.473 -11.307 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.550 -11.124 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.759 -10.831 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.108 -9.282 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.398 -8.794 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.618 -7.663 -1.376 1.00 0.00 H new ATOM 442 N ALA A 56 -7.142 -6.121 -3.664 1.00 0.00 N ATOM 443 CA ALA A 56 -6.006 -5.392 -4.296 1.00 0.00 C ATOM 444 C ALA A 56 -4.698 -6.050 -3.863 1.00 0.00 C ATOM 445 O ALA A 56 -4.646 -6.731 -2.858 1.00 0.00 O ATOM 446 CB ALA A 56 -6.016 -3.936 -3.839 1.00 0.00 C ATOM 0 H ALA A 56 -6.939 -6.514 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.101 -5.429 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.185 -3.404 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.955 -3.469 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.915 -3.894 -2.755 1.00 0.00 H new ATOM 452 N LEU A 57 -3.644 -5.872 -4.621 1.00 0.00 N ATOM 453 CA LEU A 57 -2.337 -6.507 -4.265 1.00 0.00 C ATOM 454 C LEU A 57 -1.216 -5.476 -4.347 1.00 0.00 C ATOM 455 O LEU A 57 -1.268 -4.546 -5.125 1.00 0.00 O ATOM 456 CB LEU A 57 -2.039 -7.646 -5.248 1.00 0.00 C ATOM 457 CG LEU A 57 -3.110 -8.758 -5.122 1.00 0.00 C ATOM 458 CD1 LEU A 57 -4.246 -8.522 -6.128 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.474 -10.124 -5.407 1.00 0.00 C ATOM 0 H LEU A 57 -3.633 -5.312 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.398 -6.897 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.023 -7.261 -6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.050 -8.059 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.512 -8.737 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.991 -9.311 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.712 -7.556 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.843 -8.530 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.231 -10.903 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.064 -10.131 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.675 -10.310 -4.690 1.00 0.00 H new ATOM 471 N LEU A 58 -0.196 -5.649 -3.546 1.00 0.00 N ATOM 472 CA LEU A 58 0.963 -4.701 -3.552 1.00 0.00 C ATOM 473 C LEU A 58 2.213 -5.465 -3.970 1.00 0.00 C ATOM 474 O LEU A 58 2.462 -6.554 -3.501 1.00 0.00 O ATOM 475 CB LEU A 58 1.163 -4.139 -2.139 1.00 0.00 C ATOM 476 CG LEU A 58 0.116 -3.048 -1.843 1.00 0.00 C ATOM 477 CD1 LEU A 58 -0.082 -2.926 -0.329 1.00 0.00 C ATOM 478 CD2 LEU A 58 0.599 -1.692 -2.384 1.00 0.00 C ATOM 0 H LEU A 58 -0.114 -6.416 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 58 0.774 -3.882 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.079 -4.941 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.167 -3.724 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.822 -3.323 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.823 -2.154 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.428 -3.879 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.864 -2.658 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.148 -0.928 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.540 -1.424 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.747 -1.762 -3.462 1.00 0.00 H new ATOM 490 N VAL A 59 2.999 -4.901 -4.851 1.00 0.00 N ATOM 491 CA VAL A 59 4.245 -5.593 -5.312 1.00 0.00 C ATOM 492 C VAL A 59 5.453 -4.707 -5.014 1.00 0.00 C ATOM 493 O VAL A 59 5.460 -3.525 -5.291 1.00 0.00 O ATOM 494 CB VAL A 59 4.147 -5.858 -6.816 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.504 -6.323 -7.350 1.00 0.00 C ATOM 496 CG2 VAL A 59 3.103 -6.950 -7.058 1.00 0.00 C ATOM 0 H VAL A 59 2.833 -3.988 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 59 4.360 -6.542 -4.788 1.00 0.00 H new ATOM 0 HB VAL A 59 3.856 -4.943 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.429 -6.510 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.251 -5.550 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.800 -7.240 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.024 -7.148 -8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.404 -7.862 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.136 -6.620 -6.678 1.00 0.00 H new ATOM 506 N VAL A 60 6.473 -5.277 -4.440 1.00 0.00 N ATOM 507 CA VAL A 60 7.690 -4.490 -4.105 1.00 0.00 C ATOM 508 C VAL A 60 8.478 -4.189 -5.379 1.00 0.00 C ATOM 509 O VAL A 60 8.723 -5.057 -6.190 1.00 0.00 O ATOM 510 CB VAL A 60 8.550 -5.304 -3.137 1.00 0.00 C ATOM 511 CG1 VAL A 60 9.916 -4.637 -2.949 1.00 0.00 C ATOM 512 CG2 VAL A 60 7.834 -5.388 -1.789 1.00 0.00 C ATOM 0 H VAL A 60 6.516 -6.264 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 60 7.406 -3.546 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 60 8.702 -6.304 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.517 -5.227 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.426 -4.574 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.779 -3.634 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.439 -5.967 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.685 -4.383 -1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.867 -5.874 -1.920 1.00 0.00 H new ATOM 522 N LYS A 61 8.882 -2.959 -5.556 1.00 0.00 N ATOM 523 CA LYS A 61 9.661 -2.590 -6.772 1.00 0.00 C ATOM 524 C LYS A 61 11.154 -2.689 -6.464 1.00 0.00 C ATOM 525 O LYS A 61 11.979 -2.707 -7.353 1.00 0.00 O ATOM 526 CB LYS A 61 9.321 -1.155 -7.171 1.00 0.00 C ATOM 527 CG LYS A 61 7.856 -1.086 -7.603 1.00 0.00 C ATOM 528 CD LYS A 61 7.545 0.297 -8.184 1.00 0.00 C ATOM 529 CE LYS A 61 7.549 1.354 -7.074 1.00 0.00 C ATOM 530 NZ LYS A 61 6.914 2.603 -7.584 1.00 0.00 N ATOM 0 H LYS A 61 8.705 -2.192 -4.908 1.00 0.00 H new ATOM 0 HA LYS A 61 9.410 -3.267 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.497 -0.481 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.968 -0.828 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.651 -1.856 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.207 -1.285 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.284 0.554 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.573 0.282 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.007 0.986 -6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.570 1.556 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.914 3.324 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.449 2.955 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.935 2.402 -7.871 1.00 0.00 H new ATOM 544 N ARG A 62 11.513 -2.758 -5.211 1.00 0.00 N ATOM 545 CA ARG A 62 12.958 -2.864 -4.868 1.00 0.00 C ATOM 546 C ARG A 62 13.117 -3.279 -3.407 1.00 0.00 C ATOM 547 O ARG A 62 12.391 -2.839 -2.539 1.00 0.00 O ATOM 548 CB ARG A 62 13.646 -1.513 -5.080 1.00 0.00 C ATOM 549 CG ARG A 62 15.179 -1.685 -5.006 1.00 0.00 C ATOM 550 CD ARG A 62 15.739 -2.036 -6.389 1.00 0.00 C ATOM 551 NE ARG A 62 15.561 -0.874 -7.306 1.00 0.00 N ATOM 552 CZ ARG A 62 16.432 0.098 -7.306 1.00 0.00 C ATOM 553 NH1 ARG A 62 17.452 0.062 -6.488 1.00 0.00 N ATOM 554 NH2 ARG A 62 16.284 1.107 -8.120 1.00 0.00 N ATOM 0 H ARG A 62 10.874 -2.746 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 62 13.416 -3.613 -5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.364 -1.100 -6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.314 -0.803 -4.322 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.638 -0.766 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.430 -2.471 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.795 -2.293 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.227 -2.911 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 62 14.758 -0.839 -7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.567 -0.726 -5.850 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.133 0.822 -6.488 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.487 1.136 -8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.965 1.867 -8.120 1.00 0.00 H new ATOM 568 N GLY A 63 14.082 -4.111 -3.128 1.00 0.00 N ATOM 569 CA GLY A 63 14.316 -4.548 -1.722 1.00 0.00 C ATOM 570 C GLY A 63 14.924 -5.955 -1.720 1.00 0.00 C ATOM 571 O GLY A 63 15.090 -6.563 -2.759 1.00 0.00 O ATOM 0 H GLY A 63 14.721 -4.509 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.986 -3.850 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.377 -4.545 -1.168 1.00 0.00 H new ATOM 575 N PRO A 64 15.254 -6.470 -0.562 1.00 0.00 N ATOM 576 CA PRO A 64 15.845 -7.836 -0.432 1.00 0.00 C ATOM 577 C PRO A 64 14.971 -8.900 -1.106 1.00 0.00 C ATOM 578 O PRO A 64 15.460 -9.808 -1.743 1.00 0.00 O ATOM 579 CB PRO A 64 15.909 -8.070 1.089 1.00 0.00 C ATOM 580 CG PRO A 64 15.911 -6.703 1.695 1.00 0.00 C ATOM 581 CD PRO A 64 15.094 -5.818 0.750 1.00 0.00 C ATOM 0 HA PRO A 64 16.818 -7.908 -0.917 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.055 -8.653 1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.806 -8.625 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.471 -6.718 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.928 -6.325 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.047 -5.772 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.467 -4.794 0.737 1.00 0.00 H new ATOM 589 N ASN A 65 13.675 -8.781 -0.960 1.00 0.00 N ATOM 590 CA ASN A 65 12.735 -9.766 -1.580 1.00 0.00 C ATOM 591 C ASN A 65 12.010 -9.094 -2.748 1.00 0.00 C ATOM 592 O ASN A 65 10.797 -9.081 -2.820 1.00 0.00 O ATOM 593 CB ASN A 65 11.719 -10.228 -0.528 1.00 0.00 C ATOM 594 CG ASN A 65 10.921 -9.033 0.000 1.00 0.00 C ATOM 595 OD1 ASN A 65 11.092 -7.920 -0.457 1.00 0.00 O ATOM 596 ND2 ASN A 65 10.047 -9.222 0.953 1.00 0.00 N ATOM 0 H ASN A 65 13.223 -8.035 -0.432 1.00 0.00 H new ATOM 0 HA ASN A 65 13.287 -10.632 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.042 -10.962 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.236 -10.721 0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.508 -8.435 1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.904 -10.157 1.336 1.00 0.00 H new ATOM 603 N ALA A 66 12.753 -8.529 -3.661 1.00 0.00 N ATOM 604 CA ALA A 66 12.130 -7.842 -4.830 1.00 0.00 C ATOM 605 C ALA A 66 11.242 -8.819 -5.603 1.00 0.00 C ATOM 606 O ALA A 66 11.546 -9.988 -5.727 1.00 0.00 O ATOM 607 CB ALA A 66 13.232 -7.319 -5.752 1.00 0.00 C ATOM 0 H ALA A 66 13.773 -8.514 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 66 11.519 -7.013 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.782 -6.816 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.859 -6.615 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.841 -8.153 -6.100 1.00 0.00 H new ATOM 613 N GLY A 67 10.137 -8.345 -6.119 1.00 0.00 N ATOM 614 CA GLY A 67 9.215 -9.237 -6.883 1.00 0.00 C ATOM 615 C GLY A 67 8.198 -9.850 -5.920 1.00 0.00 C ATOM 616 O GLY A 67 7.358 -10.637 -6.306 1.00 0.00 O ATOM 0 H GLY A 67 9.833 -7.374 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.702 -8.670 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.781 -10.023 -7.382 1.00 0.00 H new ATOM 620 N SER A 68 8.272 -9.493 -4.668 1.00 0.00 N ATOM 621 CA SER A 68 7.318 -10.054 -3.669 1.00 0.00 C ATOM 622 C SER A 68 5.924 -9.458 -3.886 1.00 0.00 C ATOM 623 O SER A 68 5.781 -8.359 -4.377 1.00 0.00 O ATOM 624 CB SER A 68 7.809 -9.716 -2.260 1.00 0.00 C ATOM 625 OG SER A 68 8.885 -10.581 -1.927 1.00 0.00 O ATOM 0 H SER A 68 8.954 -8.835 -4.292 1.00 0.00 H new ATOM 0 HA SER A 68 7.262 -11.136 -3.789 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.133 -8.676 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.998 -9.830 -1.541 1.00 0.00 H new ATOM 0 HG SER A 68 9.671 -10.346 -2.462 1.00 0.00 H new ATOM 631 N ARG A 69 4.895 -10.186 -3.523 1.00 0.00 N ATOM 632 CA ARG A 69 3.495 -9.681 -3.701 1.00 0.00 C ATOM 633 C ARG A 69 2.699 -9.932 -2.415 1.00 0.00 C ATOM 634 O ARG A 69 2.890 -10.924 -1.744 1.00 0.00 O ATOM 635 CB ARG A 69 2.837 -10.427 -4.867 1.00 0.00 C ATOM 636 CG ARG A 69 2.841 -11.934 -4.592 1.00 0.00 C ATOM 637 CD ARG A 69 2.222 -12.663 -5.785 1.00 0.00 C ATOM 638 NE ARG A 69 0.776 -12.311 -5.877 1.00 0.00 N ATOM 639 CZ ARG A 69 0.053 -12.758 -6.868 1.00 0.00 C ATOM 640 NH1 ARG A 69 0.588 -13.529 -7.777 1.00 0.00 N ATOM 641 NH2 ARG A 69 -1.209 -12.435 -6.949 1.00 0.00 N ATOM 0 H ARG A 69 4.965 -11.115 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 69 3.511 -8.612 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.814 -10.076 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.372 -10.216 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.860 -12.283 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.278 -12.152 -3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.736 -12.383 -6.704 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.340 -13.740 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 69 0.350 -11.719 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.574 -13.784 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.020 -13.876 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.628 -11.835 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.776 -12.783 -7.722 1.00 0.00 H new ATOM 655 N PHE A 70 1.809 -9.031 -2.069 1.00 0.00 N ATOM 656 CA PHE A 70 0.990 -9.196 -0.822 1.00 0.00 C ATOM 657 C PHE A 70 -0.491 -9.209 -1.187 1.00 0.00 C ATOM 658 O PHE A 70 -0.944 -8.437 -2.008 1.00 0.00 O ATOM 659 CB PHE A 70 1.262 -8.021 0.119 1.00 0.00 C ATOM 660 CG PHE A 70 2.639 -8.174 0.711 1.00 0.00 C ATOM 661 CD1 PHE A 70 2.843 -9.060 1.774 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.709 -7.434 0.199 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.121 -9.208 2.324 1.00 0.00 C ATOM 664 CE2 PHE A 70 4.988 -7.581 0.748 1.00 0.00 C ATOM 665 CZ PHE A 70 5.193 -8.469 1.811 1.00 0.00 C ATOM 0 H PHE A 70 1.613 -8.182 -2.600 1.00 0.00 H new ATOM 0 HA PHE A 70 1.257 -10.132 -0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.189 -7.079 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.513 -7.992 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.015 -9.629 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.549 -6.749 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.280 -9.892 3.144 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.815 -7.011 0.352 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.179 -8.584 2.235 1.00 0.00 H new ATOM 675 N LEU A 71 -1.254 -10.081 -0.577 1.00 0.00 N ATOM 676 CA LEU A 71 -2.717 -10.154 -0.877 1.00 0.00 C ATOM 677 C LEU A 71 -3.488 -9.409 0.209 1.00 0.00 C ATOM 678 O LEU A 71 -3.343 -9.676 1.384 1.00 0.00 O ATOM 679 CB LEU A 71 -3.154 -11.624 -0.905 1.00 0.00 C ATOM 680 CG LEU A 71 -4.674 -11.729 -1.113 1.00 0.00 C ATOM 681 CD1 LEU A 71 -5.094 -10.978 -2.387 1.00 0.00 C ATOM 682 CD2 LEU A 71 -5.055 -13.208 -1.239 1.00 0.00 C ATOM 0 H LEU A 71 -0.925 -10.749 0.120 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.921 -9.697 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.634 -12.149 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.874 -12.111 0.029 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.186 -11.281 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.173 -11.062 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.820 -9.927 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.587 -11.412 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.131 -13.295 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.535 -13.646 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.770 -13.736 -0.329 1.00 0.00 H new ATOM 694 N LEU A 72 -4.311 -8.470 -0.177 1.00 0.00 N ATOM 695 CA LEU A 72 -5.102 -7.695 0.825 1.00 0.00 C ATOM 696 C LEU A 72 -6.516 -8.269 0.899 1.00 0.00 C ATOM 697 O LEU A 72 -7.458 -7.695 0.395 1.00 0.00 O ATOM 698 CB LEU A 72 -5.156 -6.231 0.385 1.00 0.00 C ATOM 699 CG LEU A 72 -3.728 -5.701 0.206 1.00 0.00 C ATOM 700 CD1 LEU A 72 -3.783 -4.255 -0.290 1.00 0.00 C ATOM 701 CD2 LEU A 72 -2.967 -5.762 1.542 1.00 0.00 C ATOM 0 H LEU A 72 -4.470 -8.205 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.636 -7.762 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.709 -6.141 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.686 -5.636 1.128 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.206 -6.320 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.769 -3.875 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.308 -4.217 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.311 -3.640 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.955 -5.383 1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.483 -5.152 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.923 -6.794 1.889 1.00 0.00 H new ATOM 713 N ASP A 73 -6.668 -9.406 1.528 1.00 0.00 N ATOM 714 CA ASP A 73 -8.017 -10.038 1.646 1.00 0.00 C ATOM 715 C ASP A 73 -8.600 -9.717 3.023 1.00 0.00 C ATOM 716 O ASP A 73 -9.521 -10.364 3.478 1.00 0.00 O ATOM 717 CB ASP A 73 -7.882 -11.555 1.485 1.00 0.00 C ATOM 718 CG ASP A 73 -9.270 -12.195 1.430 1.00 0.00 C ATOM 719 OD1 ASP A 73 -10.244 -11.467 1.530 1.00 0.00 O ATOM 720 OD2 ASP A 73 -9.336 -13.404 1.277 1.00 0.00 O ATOM 0 H ASP A 73 -5.910 -9.928 1.968 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.677 -9.651 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.329 -11.786 0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.313 -11.969 2.317 1.00 0.00 H new ATOM 725 N GLN A 74 -8.060 -8.724 3.693 1.00 0.00 N ATOM 726 CA GLN A 74 -8.565 -8.346 5.056 1.00 0.00 C ATOM 727 C GLN A 74 -9.076 -6.903 5.034 1.00 0.00 C ATOM 728 O GLN A 74 -8.541 -6.049 4.355 1.00 0.00 O ATOM 729 CB GLN A 74 -7.424 -8.464 6.075 1.00 0.00 C ATOM 730 CG GLN A 74 -7.961 -8.217 7.490 1.00 0.00 C ATOM 731 CD GLN A 74 -8.933 -9.335 7.871 1.00 0.00 C ATOM 732 OE1 GLN A 74 -8.692 -10.489 7.573 1.00 0.00 O ATOM 733 NE2 GLN A 74 -10.028 -9.042 8.514 1.00 0.00 N ATOM 0 H GLN A 74 -7.285 -8.155 3.352 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.378 -9.015 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.973 -9.454 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.641 -7.742 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.136 -8.180 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.465 -7.252 7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.229 -8.074 8.764 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.684 -9.781 8.768 1.00 0.00 H new ATOM 742 N ALA A 75 -10.115 -6.633 5.775 1.00 0.00 N ATOM 743 CA ALA A 75 -10.683 -5.256 5.812 1.00 0.00 C ATOM 744 C ALA A 75 -9.653 -4.279 6.375 1.00 0.00 C ATOM 745 O ALA A 75 -9.485 -3.188 5.872 1.00 0.00 O ATOM 746 CB ALA A 75 -11.917 -5.256 6.713 1.00 0.00 C ATOM 0 H ALA A 75 -10.599 -7.313 6.361 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.951 -4.948 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.342 -4.253 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.658 -5.950 6.316 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.633 -5.565 7.719 1.00 0.00 H new ATOM 752 N ILE A 76 -8.961 -4.664 7.421 1.00 0.00 N ATOM 753 CA ILE A 76 -7.930 -3.765 8.034 1.00 0.00 C ATOM 754 C ILE A 76 -6.596 -4.502 8.086 1.00 0.00 C ATOM 755 O ILE A 76 -6.505 -5.600 8.596 1.00 0.00 O ATOM 756 CB ILE A 76 -8.362 -3.390 9.454 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.654 -2.575 9.383 1.00 0.00 C ATOM 758 CG2 ILE A 76 -7.264 -2.555 10.116 1.00 0.00 C ATOM 759 CD1 ILE A 76 -10.220 -2.382 10.789 1.00 0.00 C ATOM 0 H ILE A 76 -9.067 -5.569 7.880 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.827 -2.859 7.437 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.530 -4.293 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.459 -1.606 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.383 -3.086 8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.570 -2.287 11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.342 -3.134 10.158 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.097 -1.648 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.140 -1.801 10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.431 -3.355 11.233 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.493 -1.852 11.404 1.00 0.00 H new ATOM 771 N THR A 77 -5.559 -3.905 7.555 1.00 0.00 N ATOM 772 CA THR A 77 -4.211 -4.558 7.561 1.00 0.00 C ATOM 773 C THR A 77 -3.199 -3.624 8.220 1.00 0.00 C ATOM 774 O THR A 77 -3.022 -2.494 7.814 1.00 0.00 O ATOM 775 CB THR A 77 -3.788 -4.847 6.118 1.00 0.00 C ATOM 776 OG1 THR A 77 -4.699 -5.772 5.542 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.376 -5.438 6.103 1.00 0.00 C ATOM 0 H THR A 77 -5.587 -2.986 7.114 1.00 0.00 H new ATOM 0 HA THR A 77 -4.254 -5.492 8.121 1.00 0.00 H new ATOM 0 HB THR A 77 -3.793 -3.921 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.434 -5.959 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.078 -5.643 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.679 -4.728 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.364 -6.365 6.676 1.00 0.00 H new ATOM 785 N SER A 78 -2.530 -4.093 9.237 1.00 0.00 N ATOM 786 CA SER A 78 -1.520 -3.247 9.937 1.00 0.00 C ATOM 787 C SER A 78 -0.129 -3.564 9.391 1.00 0.00 C ATOM 788 O SER A 78 0.107 -4.630 8.861 1.00 0.00 O ATOM 789 CB SER A 78 -1.566 -3.556 11.434 1.00 0.00 C ATOM 790 OG SER A 78 -2.698 -2.918 12.006 1.00 0.00 O ATOM 0 H SER A 78 -2.640 -5.033 9.617 1.00 0.00 H new ATOM 0 HA SER A 78 -1.740 -2.192 9.773 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.621 -4.633 11.594 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.654 -3.208 11.918 1.00 0.00 H new ATOM 0 HG SER A 78 -3.019 -3.443 12.769 1.00 0.00 H new ATOM 796 N ALA A 79 0.797 -2.644 9.516 1.00 0.00 N ATOM 797 CA ALA A 79 2.185 -2.883 9.003 1.00 0.00 C ATOM 798 C ALA A 79 3.154 -2.988 10.182 1.00 0.00 C ATOM 799 O ALA A 79 2.972 -2.362 11.206 1.00 0.00 O ATOM 800 CB ALA A 79 2.600 -1.708 8.118 1.00 0.00 C ATOM 0 H ALA A 79 0.651 -1.734 9.953 1.00 0.00 H new ATOM 0 HA ALA A 79 2.208 -3.809 8.428 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.609 -1.875 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.909 -1.622 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.578 -0.788 8.701 1.00 0.00 H new ATOM 806 N GLY A 80 4.184 -3.784 10.042 1.00 0.00 N ATOM 807 CA GLY A 80 5.182 -3.948 11.147 1.00 0.00 C ATOM 808 C GLY A 80 4.951 -5.285 11.853 1.00 0.00 C ATOM 809 O GLY A 80 5.870 -6.043 12.076 1.00 0.00 O ATOM 0 H GLY A 80 4.379 -4.332 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.194 -3.908 10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.089 -3.128 11.859 1.00 0.00 H new ATOM 813 N ARG A 81 3.729 -5.581 12.209 1.00 0.00 N ATOM 814 CA ARG A 81 3.445 -6.872 12.909 1.00 0.00 C ATOM 815 C ARG A 81 3.180 -7.975 11.884 1.00 0.00 C ATOM 816 O ARG A 81 2.554 -7.758 10.868 1.00 0.00 O ATOM 817 CB ARG A 81 2.222 -6.699 13.810 1.00 0.00 C ATOM 818 CG ARG A 81 2.586 -5.782 14.979 1.00 0.00 C ATOM 819 CD ARG A 81 1.367 -5.592 15.881 1.00 0.00 C ATOM 820 NE ARG A 81 0.330 -4.810 15.151 1.00 0.00 N ATOM 821 CZ ARG A 81 -0.808 -4.534 15.727 1.00 0.00 C ATOM 822 NH1 ARG A 81 -1.042 -4.938 16.948 1.00 0.00 N ATOM 823 NH2 ARG A 81 -1.714 -3.849 15.084 1.00 0.00 N ATOM 0 H ARG A 81 2.916 -4.987 12.047 1.00 0.00 H new ATOM 0 HA ARG A 81 4.308 -7.153 13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.394 -6.274 13.242 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.889 -7.668 14.182 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.409 -6.212 15.549 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.928 -4.817 14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.966 -6.561 16.178 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.654 -5.072 16.795 1.00 0.00 H new ATOM 0 HE ARG A 81 0.510 -4.490 14.199 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.334 -5.471 17.453 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.933 -4.721 17.395 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.532 -3.530 14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.604 -3.633 15.533 1.00 0.00 H new ATOM 837 N HIS A 82 3.664 -9.163 12.147 1.00 0.00 N ATOM 838 CA HIS A 82 3.460 -10.296 11.191 1.00 0.00 C ATOM 839 C HIS A 82 2.143 -11.022 11.516 1.00 0.00 C ATOM 840 O HIS A 82 1.385 -11.355 10.628 1.00 0.00 O ATOM 841 CB HIS A 82 4.654 -11.293 11.280 1.00 0.00 C ATOM 842 CG HIS A 82 5.769 -10.703 12.108 1.00 0.00 C ATOM 843 ND1 HIS A 82 6.469 -11.452 13.042 1.00 0.00 N ATOM 844 CD2 HIS A 82 6.317 -9.445 12.151 1.00 0.00 C ATOM 845 CE1 HIS A 82 7.390 -10.645 13.602 1.00 0.00 C ATOM 846 NE2 HIS A 82 7.341 -9.410 13.095 1.00 0.00 N ATOM 0 H HIS A 82 4.194 -9.398 12.986 1.00 0.00 H new ATOM 0 HA HIS A 82 3.408 -9.900 10.177 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.321 -12.232 11.723 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.019 -11.525 10.279 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.002 -8.609 11.545 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.084 -10.958 14.368 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.927 -8.613 13.345 1.00 0.00 H new ATOM 854 N PRO A 83 1.882 -11.283 12.772 1.00 0.00 N ATOM 855 CA PRO A 83 0.642 -12.006 13.200 1.00 0.00 C ATOM 856 C PRO A 83 -0.642 -11.306 12.735 1.00 0.00 C ATOM 857 O PRO A 83 -0.767 -10.099 12.807 1.00 0.00 O ATOM 858 CB PRO A 83 0.739 -12.026 14.739 1.00 0.00 C ATOM 859 CG PRO A 83 2.193 -11.826 15.037 1.00 0.00 C ATOM 860 CD PRO A 83 2.727 -10.927 13.925 1.00 0.00 C ATOM 0 HA PRO A 83 0.584 -13.002 12.760 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.133 -11.237 15.183 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.379 -12.971 15.145 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.332 -11.363 16.014 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.722 -12.779 15.058 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.635 -9.871 14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.782 -11.116 13.725 1.00 0.00 H new ATOM 868 N ASP A 84 -1.594 -12.067 12.257 1.00 0.00 N ATOM 869 CA ASP A 84 -2.878 -11.473 11.780 1.00 0.00 C ATOM 870 C ASP A 84 -2.589 -10.239 10.925 1.00 0.00 C ATOM 871 O ASP A 84 -3.197 -9.203 11.089 1.00 0.00 O ATOM 872 CB ASP A 84 -3.751 -11.095 12.978 1.00 0.00 C ATOM 873 CG ASP A 84 -4.283 -12.372 13.636 1.00 0.00 C ATOM 874 OD1 ASP A 84 -4.169 -13.423 13.026 1.00 0.00 O ATOM 875 OD2 ASP A 84 -4.799 -12.276 14.737 1.00 0.00 O ATOM 0 H ASP A 84 -1.535 -13.082 12.177 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.412 -12.205 11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.172 -10.515 13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.580 -10.465 12.655 1.00 0.00 H new ATOM 880 N SER A 85 -1.658 -10.344 10.012 1.00 0.00 N ATOM 881 CA SER A 85 -1.323 -9.176 9.145 1.00 0.00 C ATOM 882 C SER A 85 -0.695 -9.666 7.837 1.00 0.00 C ATOM 883 O SER A 85 0.364 -10.263 7.827 1.00 0.00 O ATOM 884 CB SER A 85 -0.333 -8.266 9.873 1.00 0.00 C ATOM 885 OG SER A 85 -0.961 -7.712 11.019 1.00 0.00 O ATOM 0 H SER A 85 -1.116 -11.188 9.830 1.00 0.00 H new ATOM 0 HA SER A 85 -2.234 -8.621 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.551 -8.832 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.004 -7.470 9.208 1.00 0.00 H new ATOM 0 HG SER A 85 -1.926 -7.878 10.976 1.00 0.00 H new ATOM 891 N ASP A 86 -1.341 -9.412 6.731 1.00 0.00 N ATOM 892 CA ASP A 86 -0.787 -9.852 5.419 1.00 0.00 C ATOM 893 C ASP A 86 0.541 -9.142 5.166 1.00 0.00 C ATOM 894 O ASP A 86 1.469 -9.709 4.628 1.00 0.00 O ATOM 895 CB ASP A 86 -1.764 -9.481 4.301 1.00 0.00 C ATOM 896 CG ASP A 86 -2.988 -10.397 4.354 1.00 0.00 C ATOM 897 OD1 ASP A 86 -2.915 -11.414 5.022 1.00 0.00 O ATOM 898 OD2 ASP A 86 -3.979 -10.060 3.728 1.00 0.00 O ATOM 0 H ASP A 86 -2.231 -8.917 6.680 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.636 -10.931 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.073 -8.441 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.273 -9.571 3.332 1.00 0.00 H new ATOM 903 N ILE A 87 0.629 -7.894 5.537 1.00 0.00 N ATOM 904 CA ILE A 87 1.886 -7.132 5.311 1.00 0.00 C ATOM 905 C ILE A 87 2.919 -7.512 6.369 1.00 0.00 C ATOM 906 O ILE A 87 2.650 -7.481 7.552 1.00 0.00 O ATOM 907 CB ILE A 87 1.585 -5.630 5.409 1.00 0.00 C ATOM 908 CG1 ILE A 87 0.630 -5.202 4.269 1.00 0.00 C ATOM 909 CG2 ILE A 87 2.894 -4.834 5.341 1.00 0.00 C ATOM 910 CD1 ILE A 87 1.403 -4.898 2.976 1.00 0.00 C ATOM 0 H ILE A 87 -0.120 -7.369 5.989 1.00 0.00 H new ATOM 0 HA ILE A 87 2.282 -7.368 4.323 1.00 0.00 H new ATOM 0 HB ILE A 87 1.097 -5.424 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.096 -5.994 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.068 -4.320 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.676 -3.768 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.541 -5.127 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.397 -5.040 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.703 -4.600 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.111 -4.089 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.944 -5.789 2.658 1.00 0.00 H new ATOM 922 N PHE A 88 4.100 -7.875 5.943 1.00 0.00 N ATOM 923 CA PHE A 88 5.180 -8.268 6.898 1.00 0.00 C ATOM 924 C PHE A 88 6.459 -7.499 6.551 1.00 0.00 C ATOM 925 O PHE A 88 7.309 -7.981 5.831 1.00 0.00 O ATOM 926 CB PHE A 88 5.411 -9.782 6.782 1.00 0.00 C ATOM 927 CG PHE A 88 6.711 -10.171 7.453 1.00 0.00 C ATOM 928 CD1 PHE A 88 6.864 -10.004 8.834 1.00 0.00 C ATOM 929 CD2 PHE A 88 7.762 -10.698 6.690 1.00 0.00 C ATOM 930 CE1 PHE A 88 8.067 -10.366 9.451 1.00 0.00 C ATOM 931 CE2 PHE A 88 8.961 -11.061 7.309 1.00 0.00 C ATOM 932 CZ PHE A 88 9.116 -10.895 8.689 1.00 0.00 C ATOM 0 H PHE A 88 4.367 -7.917 4.959 1.00 0.00 H new ATOM 0 HA PHE A 88 4.894 -8.028 7.922 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.582 -10.319 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.435 -10.073 5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.055 -9.597 9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.645 -10.824 5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.186 -10.237 10.517 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.769 -11.470 6.721 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.044 -11.174 9.166 1.00 0.00 H new ATOM 942 N LEU A 89 6.597 -6.305 7.069 1.00 0.00 N ATOM 943 CA LEU A 89 7.817 -5.486 6.792 1.00 0.00 C ATOM 944 C LEU A 89 8.697 -5.496 8.038 1.00 0.00 C ATOM 945 O LEU A 89 8.478 -4.756 8.974 1.00 0.00 O ATOM 946 CB LEU A 89 7.397 -4.051 6.462 1.00 0.00 C ATOM 947 CG LEU A 89 6.458 -4.057 5.248 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.004 -2.625 4.946 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.181 -4.641 4.021 1.00 0.00 C ATOM 0 H LEU A 89 5.911 -5.858 7.677 1.00 0.00 H new ATOM 0 HA LEU A 89 8.369 -5.897 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.897 -3.601 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.277 -3.443 6.251 1.00 0.00 H new ATOM 0 HG LEU A 89 5.589 -4.676 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.337 -2.629 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.477 -2.220 5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.874 -2.006 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.505 -4.640 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.057 -4.034 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.494 -5.663 4.235 1.00 0.00 H new ATOM 961 N ASP A 90 9.689 -6.342 8.059 1.00 0.00 N ATOM 962 CA ASP A 90 10.586 -6.420 9.247 1.00 0.00 C ATOM 963 C ASP A 90 11.776 -5.479 9.057 1.00 0.00 C ATOM 964 O ASP A 90 12.768 -5.834 8.455 1.00 0.00 O ATOM 965 CB ASP A 90 11.084 -7.860 9.404 1.00 0.00 C ATOM 966 CG ASP A 90 11.825 -8.293 8.135 1.00 0.00 C ATOM 967 OD1 ASP A 90 11.791 -7.551 7.169 1.00 0.00 O ATOM 968 OD2 ASP A 90 12.404 -9.367 8.152 1.00 0.00 O ATOM 0 H ASP A 90 9.918 -6.986 7.302 1.00 0.00 H new ATOM 0 HA ASP A 90 10.038 -6.123 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.747 -7.934 10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.243 -8.527 9.591 1.00 0.00 H new ATOM 973 N ASP A 91 11.688 -4.279 9.569 1.00 0.00 N ATOM 974 CA ASP A 91 12.823 -3.320 9.419 1.00 0.00 C ATOM 975 C ASP A 91 12.799 -2.302 10.559 1.00 0.00 C ATOM 976 O ASP A 91 11.785 -2.067 11.183 1.00 0.00 O ATOM 977 CB ASP A 91 12.708 -2.581 8.083 1.00 0.00 C ATOM 978 CG ASP A 91 14.040 -1.896 7.761 1.00 0.00 C ATOM 979 OD1 ASP A 91 15.064 -2.391 8.201 1.00 0.00 O ATOM 980 OD2 ASP A 91 14.014 -0.886 7.079 1.00 0.00 O ATOM 0 H ASP A 91 10.882 -3.922 10.083 1.00 0.00 H new ATOM 0 HA ASP A 91 13.759 -3.877 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.446 -3.281 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.909 -1.841 8.132 1.00 0.00 H new ATOM 985 N VAL A 92 13.920 -1.695 10.827 1.00 0.00 N ATOM 986 CA VAL A 92 13.996 -0.683 11.916 1.00 0.00 C ATOM 987 C VAL A 92 13.209 0.568 11.516 1.00 0.00 C ATOM 988 O VAL A 92 12.645 1.252 12.345 1.00 0.00 O ATOM 989 CB VAL A 92 15.462 -0.316 12.139 1.00 0.00 C ATOM 990 CG1 VAL A 92 16.258 -1.585 12.453 1.00 0.00 C ATOM 991 CG2 VAL A 92 16.018 0.327 10.868 1.00 0.00 C ATOM 0 H VAL A 92 14.797 -1.859 10.332 1.00 0.00 H new ATOM 0 HA VAL A 92 13.569 -1.091 12.832 1.00 0.00 H new ATOM 0 HB VAL A 92 15.544 0.383 12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 92 17.305 -1.328 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 92 15.858 -2.052 13.353 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.179 -2.280 11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 92 17.064 0.591 11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 92 15.939 -0.377 10.040 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.447 1.226 10.635 1.00 0.00 H new ATOM 1001 N THR A 93 13.180 0.878 10.250 1.00 0.00 N ATOM 1002 CA THR A 93 12.448 2.089 9.787 1.00 0.00 C ATOM 1003 C THR A 93 10.945 1.926 10.026 1.00 0.00 C ATOM 1004 O THR A 93 10.242 2.894 10.230 1.00 0.00 O ATOM 1005 CB THR A 93 12.700 2.292 8.293 1.00 0.00 C ATOM 1006 OG1 THR A 93 12.256 1.144 7.584 1.00 0.00 O ATOM 1007 CG2 THR A 93 14.195 2.497 8.052 1.00 0.00 C ATOM 0 H THR A 93 13.635 0.341 9.512 1.00 0.00 H new ATOM 0 HA THR A 93 12.805 2.953 10.347 1.00 0.00 H new ATOM 0 HB THR A 93 12.155 3.169 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.017 0.550 7.414 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.375 2.642 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.535 3.376 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.743 1.620 8.397 1.00 0.00 H new ATOM 1015 N VAL A 94 10.439 0.717 9.989 1.00 0.00 N ATOM 1016 CA VAL A 94 8.971 0.512 10.200 1.00 0.00 C ATOM 1017 C VAL A 94 8.718 0.064 11.642 1.00 0.00 C ATOM 1018 O VAL A 94 9.293 -0.893 12.120 1.00 0.00 O ATOM 1019 CB VAL A 94 8.475 -0.564 9.231 1.00 0.00 C ATOM 1020 CG1 VAL A 94 7.001 -0.864 9.506 1.00 0.00 C ATOM 1021 CG2 VAL A 94 8.634 -0.060 7.795 1.00 0.00 C ATOM 0 H VAL A 94 10.976 -0.134 9.823 1.00 0.00 H new ATOM 0 HA VAL A 94 8.437 1.445 10.018 1.00 0.00 H new ATOM 0 HB VAL A 94 9.059 -1.474 9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.651 -1.630 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.887 -1.220 10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.413 0.044 9.370 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.282 -0.823 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.049 0.850 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.685 0.153 7.598 1.00 0.00 H new ATOM 1031 N SER A 95 7.862 0.765 12.335 1.00 0.00 N ATOM 1032 CA SER A 95 7.559 0.411 13.752 1.00 0.00 C ATOM 1033 C SER A 95 6.579 -0.760 13.805 1.00 0.00 C ATOM 1034 O SER A 95 6.293 -1.386 12.808 1.00 0.00 O ATOM 1035 CB SER A 95 6.938 1.620 14.447 1.00 0.00 C ATOM 1036 OG SER A 95 7.904 2.659 14.531 1.00 0.00 O ATOM 0 H SER A 95 7.355 1.575 11.977 1.00 0.00 H new ATOM 0 HA SER A 95 8.483 0.124 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.064 1.964 13.893 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.595 1.345 15.444 1.00 0.00 H new ATOM 0 HG SER A 95 7.509 3.438 14.975 1.00 0.00 H new ATOM 1042 N ARG A 96 6.065 -1.058 14.969 1.00 0.00 N ATOM 1043 CA ARG A 96 5.102 -2.185 15.103 1.00 0.00 C ATOM 1044 C ARG A 96 3.875 -1.918 14.231 1.00 0.00 C ATOM 1045 O ARG A 96 3.410 -2.784 13.519 1.00 0.00 O ATOM 1046 CB ARG A 96 4.661 -2.292 16.565 1.00 0.00 C ATOM 1047 CG ARG A 96 5.823 -2.814 17.410 1.00 0.00 C ATOM 1048 CD ARG A 96 5.396 -2.899 18.878 1.00 0.00 C ATOM 1049 NE ARG A 96 6.525 -3.443 19.683 1.00 0.00 N ATOM 1050 CZ ARG A 96 6.315 -3.890 20.893 1.00 0.00 C ATOM 1051 NH1 ARG A 96 5.115 -3.848 21.409 1.00 0.00 N ATOM 1052 NH2 ARG A 96 7.306 -4.379 21.587 1.00 0.00 N ATOM 0 H ARG A 96 6.274 -0.565 15.837 1.00 0.00 H new ATOM 0 HA ARG A 96 5.579 -3.112 14.786 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.340 -1.317 16.932 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.806 -2.962 16.650 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.132 -3.797 17.054 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.684 -2.153 17.309 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.113 -1.912 19.245 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.520 -3.539 18.978 1.00 0.00 H new ATOM 0 HE ARG A 96 7.465 -3.467 19.289 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.340 -3.466 20.867 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.953 -4.197 22.354 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.243 -4.412 21.185 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.144 -4.728 22.532 1.00 0.00 H new ATOM 1066 N ARG A 97 3.354 -0.718 14.279 1.00 0.00 N ATOM 1067 CA ARG A 97 2.156 -0.364 13.455 1.00 0.00 C ATOM 1068 C ARG A 97 2.587 0.570 12.324 1.00 0.00 C ATOM 1069 O ARG A 97 2.241 0.370 11.179 1.00 0.00 O ATOM 1070 CB ARG A 97 1.122 0.340 14.338 1.00 0.00 C ATOM 1071 CG ARG A 97 0.565 -0.654 15.361 1.00 0.00 C ATOM 1072 CD ARG A 97 -0.393 0.068 16.311 1.00 0.00 C ATOM 1073 NE ARG A 97 -1.550 0.610 15.538 1.00 0.00 N ATOM 1074 CZ ARG A 97 -2.606 -0.130 15.318 1.00 0.00 C ATOM 1075 NH1 ARG A 97 -2.655 -1.359 15.762 1.00 0.00 N ATOM 1076 NH2 ARG A 97 -3.615 0.359 14.650 1.00 0.00 N ATOM 0 H ARG A 97 3.711 0.040 14.860 1.00 0.00 H new ATOM 0 HA ARG A 97 1.715 -1.268 13.035 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.580 1.186 14.849 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.314 0.738 13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.044 -1.464 14.850 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.381 -1.106 15.925 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.746 -0.620 17.080 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.127 0.878 16.822 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.517 1.564 15.179 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.867 -1.745 16.283 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.481 -1.932 15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.579 1.317 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.439 -0.216 14.477 1.00 0.00 H new ATOM 1090 N HIS A 98 3.347 1.588 12.644 1.00 0.00 N ATOM 1091 CA HIS A 98 3.816 2.550 11.602 1.00 0.00 C ATOM 1092 C HIS A 98 2.626 3.077 10.801 1.00 0.00 C ATOM 1093 O HIS A 98 2.142 4.164 11.041 1.00 0.00 O ATOM 1094 CB HIS A 98 4.797 1.858 10.654 1.00 0.00 C ATOM 1095 CG HIS A 98 5.246 2.836 9.601 1.00 0.00 C ATOM 1096 ND1 HIS A 98 6.138 3.861 9.875 1.00 0.00 N ATOM 1097 CD2 HIS A 98 4.931 2.960 8.270 1.00 0.00 C ATOM 1098 CE1 HIS A 98 6.329 4.550 8.733 1.00 0.00 C ATOM 1099 NE2 HIS A 98 5.615 4.042 7.725 1.00 0.00 N ATOM 0 H HIS A 98 3.665 1.794 13.591 1.00 0.00 H new ATOM 0 HA HIS A 98 4.316 3.383 12.096 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.657 1.485 11.211 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.322 0.996 10.187 1.00 0.00 H new ATOM 0 HD1 HIS A 98 6.571 4.058 10.777 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.255 2.315 7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.979 5.408 8.644 1.00 0.00 H new ATOM 1107 N ALA A 99 2.159 2.316 9.845 1.00 0.00 N ATOM 1108 CA ALA A 99 1.001 2.754 9.006 1.00 0.00 C ATOM 1109 C ALA A 99 -0.063 1.658 9.010 1.00 0.00 C ATOM 1110 O ALA A 99 0.227 0.498 9.240 1.00 0.00 O ATOM 1111 CB ALA A 99 1.481 2.987 7.571 1.00 0.00 C ATOM 0 H ALA A 99 2.535 1.398 9.606 1.00 0.00 H new ATOM 0 HA ALA A 99 0.581 3.676 9.408 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.641 3.307 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.250 3.759 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.894 2.061 7.171 1.00 0.00 H new ATOM 1117 N GLU A 100 -1.298 2.017 8.764 1.00 0.00 N ATOM 1118 CA GLU A 100 -2.397 1.003 8.756 1.00 0.00 C ATOM 1119 C GLU A 100 -3.299 1.255 7.554 1.00 0.00 C ATOM 1120 O GLU A 100 -3.390 2.358 7.058 1.00 0.00 O ATOM 1121 CB GLU A 100 -3.214 1.134 10.041 1.00 0.00 C ATOM 1122 CG GLU A 100 -4.309 0.067 10.059 1.00 0.00 C ATOM 1123 CD GLU A 100 -5.049 0.118 11.395 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -4.859 1.083 12.117 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -5.790 -0.810 11.675 1.00 0.00 O ATOM 0 H GLU A 100 -1.594 2.973 8.567 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.974 0.000 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.566 1.020 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.658 2.127 10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.007 0.233 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.872 -0.920 9.911 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.967 0.233 7.082 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.876 0.388 5.904 1.00 0.00 C ATOM 1134 C PHE A 101 -6.298 0.035 6.326 1.00 0.00 C ATOM 1135 O PHE A 101 -6.513 -0.854 7.123 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.431 -0.569 4.797 1.00 0.00 C ATOM 1137 CG PHE A 101 -3.051 -0.184 4.326 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -2.897 0.754 3.299 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -1.924 -0.767 4.915 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.616 1.110 2.863 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.643 -0.411 4.480 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.488 0.527 3.453 1.00 0.00 C ATOM 0 H PHE A 101 -3.921 -0.711 7.466 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.840 1.415 5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.428 -1.594 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.134 -0.532 3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.767 1.203 2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.043 -1.492 5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.497 1.835 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.227 -0.860 4.937 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.501 0.801 3.116 1.00 0.00 H new ATOM 1152 N ARG A 102 -7.275 0.729 5.798 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.700 0.445 6.161 1.00 0.00 C ATOM 1154 C ARG A 102 -9.531 0.304 4.890 1.00 0.00 C ATOM 1155 O ARG A 102 -9.300 0.985 3.913 1.00 0.00 O ATOM 1156 CB ARG A 102 -9.249 1.601 6.996 1.00 0.00 C ATOM 1157 CG ARG A 102 -8.595 1.585 8.374 1.00 0.00 C ATOM 1158 CD ARG A 102 -9.122 2.758 9.199 1.00 0.00 C ATOM 1159 NE ARG A 102 -8.467 2.756 10.539 1.00 0.00 N ATOM 1160 CZ ARG A 102 -8.974 2.060 11.523 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -10.054 1.346 11.338 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -8.397 2.076 12.694 1.00 0.00 N ATOM 0 H ARG A 102 -7.147 1.486 5.126 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.751 -0.480 6.735 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.051 2.550 6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.331 1.512 7.094 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -8.811 0.644 8.880 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.512 1.653 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.920 3.698 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.204 2.681 9.311 1.00 0.00 H new ATOM 0 HE ARG A 102 -7.618 3.301 10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.505 1.330 10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.446 0.805 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.553 2.630 12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.790 1.534 13.464 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.500 -0.576 4.897 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.362 -0.771 3.688 1.00 0.00 C ATOM 1178 C LEU A 103 -12.724 -0.116 3.923 1.00 0.00 C ATOM 1179 O LEU A 103 -13.415 -0.413 4.874 1.00 0.00 O ATOM 1180 CB LEU A 103 -11.549 -2.272 3.439 1.00 0.00 C ATOM 1181 CG LEU A 103 -12.381 -2.501 2.167 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -11.677 -1.889 0.940 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -12.572 -4.007 1.964 1.00 0.00 C ATOM 0 H LEU A 103 -10.733 -1.172 5.692 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.887 -0.314 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.577 -2.755 3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.045 -2.731 4.294 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.350 -2.016 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.282 -2.062 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.550 -0.817 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.700 -2.355 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.161 -4.181 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.599 -4.486 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.092 -4.427 2.825 1.00 0.00 H new ATOM 1195 N GLU A 104 -13.113 0.777 3.052 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.428 1.467 3.204 1.00 0.00 C ATOM 1197 C GLU A 104 -15.491 0.740 2.370 1.00 0.00 C ATOM 1198 O GLU A 104 -15.799 -0.408 2.611 1.00 0.00 O ATOM 1199 CB GLU A 104 -14.288 2.912 2.719 1.00 0.00 C ATOM 1200 CG GLU A 104 -13.512 2.936 1.400 1.00 0.00 C ATOM 1201 CD GLU A 104 -13.595 4.330 0.781 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -13.556 5.292 1.529 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -13.696 4.411 -0.432 1.00 0.00 O ATOM 0 H GLU A 104 -12.572 1.060 2.235 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.732 1.458 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -15.273 3.358 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.770 3.510 3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.470 2.666 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.922 2.197 0.712 1.00 0.00 H new ATOM 1210 N ASN A 105 -16.057 1.402 1.395 1.00 0.00 N ATOM 1211 CA ASN A 105 -17.099 0.754 0.553 1.00 0.00 C ATOM 1212 C ASN A 105 -16.490 -0.402 -0.241 1.00 0.00 C ATOM 1213 O ASN A 105 -17.003 -1.500 -0.236 1.00 0.00 O ATOM 1214 CB ASN A 105 -17.656 1.796 -0.422 1.00 0.00 C ATOM 1215 CG ASN A 105 -18.598 2.743 0.322 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -19.083 2.421 1.390 1.00 0.00 O ATOM 1217 ND2 ASN A 105 -18.877 3.907 -0.198 1.00 0.00 N ATOM 0 H ASN A 105 -15.840 2.367 1.147 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.893 0.365 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.839 2.360 -0.873 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.189 1.301 -1.234 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -19.502 4.547 0.291 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.470 4.176 -1.094 1.00 0.00 H new ATOM 1224 N ASN A 106 -15.397 -0.160 -0.917 1.00 0.00 N ATOM 1225 CA ASN A 106 -14.743 -1.239 -1.719 1.00 0.00 C ATOM 1226 C ASN A 106 -13.358 -0.763 -2.174 1.00 0.00 C ATOM 1227 O ASN A 106 -12.825 -1.243 -3.154 1.00 0.00 O ATOM 1228 CB ASN A 106 -15.604 -1.565 -2.954 1.00 0.00 C ATOM 1229 CG ASN A 106 -16.735 -2.525 -2.570 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -16.573 -3.346 -1.688 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -17.879 -2.455 -3.195 1.00 0.00 N ATOM 0 H ASN A 106 -14.926 0.744 -0.949 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.641 -2.134 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.021 -0.647 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.984 -2.013 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.637 -3.089 -2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.015 -1.766 -3.935 1.00 0.00 H new ATOM 1238 N GLU A 107 -12.774 0.177 -1.474 1.00 0.00 N ATOM 1239 CA GLU A 107 -11.420 0.689 -1.865 1.00 0.00 C ATOM 1240 C GLU A 107 -10.535 0.787 -0.623 1.00 0.00 C ATOM 1241 O GLU A 107 -10.957 1.229 0.427 1.00 0.00 O ATOM 1242 CB GLU A 107 -11.557 2.066 -2.517 1.00 0.00 C ATOM 1243 CG GLU A 107 -12.233 1.910 -3.879 1.00 0.00 C ATOM 1244 CD GLU A 107 -12.424 3.284 -4.520 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -12.056 4.265 -3.893 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -12.928 3.333 -5.629 1.00 0.00 O ATOM 0 H GLU A 107 -13.176 0.615 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.964 0.002 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.144 2.727 -1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.576 2.526 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.626 1.277 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -13.197 1.415 -3.763 1.00 0.00 H new ATOM 1253 N PHE A 108 -9.310 0.364 -0.739 1.00 0.00 N ATOM 1254 CA PHE A 108 -8.384 0.411 0.424 1.00 0.00 C ATOM 1255 C PHE A 108 -7.884 1.837 0.640 1.00 0.00 C ATOM 1256 O PHE A 108 -7.706 2.590 -0.294 1.00 0.00 O ATOM 1257 CB PHE A 108 -7.196 -0.511 0.152 1.00 0.00 C ATOM 1258 CG PHE A 108 -7.640 -1.948 0.279 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -7.689 -2.551 1.539 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -8.007 -2.674 -0.861 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -8.104 -3.882 1.662 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -8.422 -4.005 -0.739 1.00 0.00 C ATOM 1263 CZ PHE A 108 -8.470 -4.609 0.523 1.00 0.00 C ATOM 0 H PHE A 108 -8.907 -0.015 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.912 0.083 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -6.800 -0.328 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.391 -0.303 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.407 -1.990 2.418 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.970 -2.207 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.142 -4.348 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.705 -4.566 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 108 -8.790 -5.636 0.618 1.00 0.00 H new ATOM 1273 N ASN A 109 -7.656 2.208 1.875 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.163 3.585 2.189 1.00 0.00 C ATOM 1275 C ASN A 109 -5.859 3.471 2.972 1.00 0.00 C ATOM 1276 O ASN A 109 -5.601 2.469 3.599 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.194 4.309 3.052 1.00 0.00 C ATOM 1278 CG ASN A 109 -9.488 4.482 2.264 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -9.515 4.293 1.062 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -10.569 4.833 2.895 1.00 0.00 N ATOM 0 H ASN A 109 -7.792 1.608 2.689 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.004 4.140 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -8.384 3.741 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.809 5.282 3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.443 4.951 2.383 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -10.543 4.991 3.902 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.039 4.492 2.941 1.00 0.00 N ATOM 1288 CA VAL A 110 -3.739 4.451 3.688 1.00 0.00 C ATOM 1289 C VAL A 110 -3.736 5.551 4.750 1.00 0.00 C ATOM 1290 O VAL A 110 -4.068 6.689 4.481 1.00 0.00 O ATOM 1291 CB VAL A 110 -2.586 4.677 2.706 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -2.709 6.058 2.058 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.256 4.580 3.458 1.00 0.00 C ATOM 0 H VAL A 110 -5.213 5.357 2.429 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.618 3.481 4.170 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.625 3.917 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.884 6.208 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.655 6.125 1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.676 6.827 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.432 4.740 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.224 5.339 4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.164 3.592 3.908 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.382 5.210 5.966 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.370 6.221 7.070 1.00 0.00 C ATOM 1305 C VAL A 111 -2.116 6.036 7.926 1.00 0.00 C ATOM 1306 O VAL A 111 -1.670 4.933 8.167 1.00 0.00 O ATOM 1307 CB VAL A 111 -4.620 6.030 7.938 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -4.764 4.561 8.338 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -4.515 6.897 9.197 1.00 0.00 C ATOM 0 H VAL A 111 -3.099 4.270 6.242 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.367 7.225 6.647 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.496 6.330 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.655 4.437 8.954 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.854 3.947 7.442 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.886 4.250 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.405 6.758 9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.633 6.606 9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.432 7.945 8.911 1.00 0.00 H new ATOM 1319 N ASP A 112 -1.546 7.117 8.391 1.00 0.00 N ATOM 1320 CA ASP A 112 -0.320 7.027 9.243 1.00 0.00 C ATOM 1321 C ASP A 112 -0.726 7.166 10.716 1.00 0.00 C ATOM 1322 O ASP A 112 -1.186 8.202 11.145 1.00 0.00 O ATOM 1323 CB ASP A 112 0.637 8.158 8.856 1.00 0.00 C ATOM 1324 CG ASP A 112 2.021 7.886 9.448 1.00 0.00 C ATOM 1325 OD1 ASP A 112 2.349 6.725 9.634 1.00 0.00 O ATOM 1326 OD2 ASP A 112 2.729 8.843 9.710 1.00 0.00 O ATOM 0 H ASP A 112 -1.879 8.065 8.217 1.00 0.00 H new ATOM 0 HA ASP A 112 0.176 6.068 9.094 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.704 8.236 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.255 9.111 9.221 1.00 0.00 H new ATOM 1331 N VAL A 113 -0.580 6.121 11.486 1.00 0.00 N ATOM 1332 CA VAL A 113 -0.981 6.180 12.924 1.00 0.00 C ATOM 1333 C VAL A 113 0.073 6.922 13.751 1.00 0.00 C ATOM 1334 O VAL A 113 1.246 6.915 13.439 1.00 0.00 O ATOM 1335 CB VAL A 113 -1.139 4.755 13.458 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -2.366 4.107 12.808 1.00 0.00 C ATOM 1337 CG2 VAL A 113 0.112 3.937 13.118 1.00 0.00 C ATOM 0 H VAL A 113 -0.199 5.225 11.181 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.925 6.718 13.005 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.268 4.782 14.540 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.484 3.091 13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.256 4.689 13.049 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.233 4.080 11.726 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.002 2.922 13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.243 3.906 12.036 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.986 4.401 13.576 1.00 0.00 H new ATOM 1405 N THR A 119 4.280 8.357 6.505 1.00 0.00 N ATOM 1406 CA THR A 119 3.812 7.744 5.229 1.00 0.00 C ATOM 1407 C THR A 119 3.351 8.832 4.258 1.00 0.00 C ATOM 1408 O THR A 119 2.662 9.759 4.633 1.00 0.00 O ATOM 1409 CB THR A 119 2.645 6.801 5.521 1.00 0.00 C ATOM 1410 OG1 THR A 119 3.021 5.902 6.552 1.00 0.00 O ATOM 1411 CG2 THR A 119 2.290 6.014 4.260 1.00 0.00 C ATOM 0 HA THR A 119 4.635 7.190 4.778 1.00 0.00 H new ATOM 0 HB THR A 119 1.777 7.380 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.741 6.299 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 119 1.458 5.343 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.005 6.706 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.154 5.431 3.940 1.00 0.00 H new ATOM 1419 N TYR A 120 3.723 8.720 3.008 1.00 0.00 N ATOM 1420 CA TYR A 120 3.308 9.739 1.993 1.00 0.00 C ATOM 1421 C TYR A 120 2.922 9.033 0.694 1.00 0.00 C ATOM 1422 O TYR A 120 3.396 7.956 0.401 1.00 0.00 O ATOM 1423 CB TYR A 120 4.466 10.699 1.718 1.00 0.00 C ATOM 1424 CG TYR A 120 5.712 9.928 1.342 1.00 0.00 C ATOM 1425 CD1 TYR A 120 5.869 9.441 0.038 1.00 0.00 C ATOM 1426 CD2 TYR A 120 6.718 9.716 2.294 1.00 0.00 C ATOM 1427 CE1 TYR A 120 7.031 8.741 -0.312 1.00 0.00 C ATOM 1428 CE2 TYR A 120 7.880 9.019 1.942 1.00 0.00 C ATOM 1429 CZ TYR A 120 8.036 8.531 0.640 1.00 0.00 C ATOM 1430 OH TYR A 120 9.183 7.847 0.293 1.00 0.00 O ATOM 0 H TYR A 120 4.300 7.962 2.644 1.00 0.00 H new ATOM 0 HA TYR A 120 2.456 10.300 2.377 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.197 11.383 0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.660 11.308 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.095 9.605 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.597 10.090 3.300 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.152 8.363 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.656 8.858 2.676 1.00 0.00 H new ATOM 0 HH TYR A 120 9.349 7.952 -0.667 1.00 0.00 H new ATOM 1440 N VAL A 121 2.059 9.639 -0.088 1.00 0.00 N ATOM 1441 CA VAL A 121 1.624 9.015 -1.381 1.00 0.00 C ATOM 1442 C VAL A 121 1.982 9.945 -2.544 1.00 0.00 C ATOM 1443 O VAL A 121 1.678 11.120 -2.537 1.00 0.00 O ATOM 1444 CB VAL A 121 0.109 8.773 -1.347 1.00 0.00 C ATOM 1445 CG1 VAL A 121 -0.636 10.095 -1.145 1.00 0.00 C ATOM 1446 CG2 VAL A 121 -0.335 8.133 -2.666 1.00 0.00 C ATOM 0 H VAL A 121 1.635 10.544 0.115 1.00 0.00 H new ATOM 0 HA VAL A 121 2.135 8.062 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.124 8.106 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.710 9.908 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.327 10.546 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.403 10.773 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.411 7.961 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.092 8.799 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.182 7.183 -2.801 1.00 0.00 H new ATOM 1456 N ASN A 122 2.633 9.413 -3.542 1.00 0.00 N ATOM 1457 CA ASN A 122 3.031 10.233 -4.726 1.00 0.00 C ATOM 1458 C ASN A 122 3.851 11.444 -4.279 1.00 0.00 C ATOM 1459 O ASN A 122 4.299 11.528 -3.155 1.00 0.00 O ATOM 1460 CB ASN A 122 1.779 10.712 -5.467 1.00 0.00 C ATOM 1461 CG ASN A 122 2.159 11.139 -6.887 1.00 0.00 C ATOM 1462 OD1 ASN A 122 2.344 12.310 -7.154 1.00 0.00 O ATOM 1463 ND2 ASN A 122 2.291 10.229 -7.811 1.00 0.00 N ATOM 0 H ASN A 122 2.910 8.433 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 122 3.637 9.618 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 122 1.037 9.915 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 122 1.325 11.547 -4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.550 10.499 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 122 2.135 9.247 -7.585 1.00 0.00 H new ATOM 1470 N ARG A 123 4.045 12.381 -5.166 1.00 0.00 N ATOM 1471 CA ARG A 123 4.830 13.597 -4.824 1.00 0.00 C ATOM 1472 C ARG A 123 4.004 14.487 -3.897 1.00 0.00 C ATOM 1473 O ARG A 123 4.474 15.500 -3.422 1.00 0.00 O ATOM 1474 CB ARG A 123 5.175 14.363 -6.110 1.00 0.00 C ATOM 1475 CG ARG A 123 5.962 13.452 -7.081 1.00 0.00 C ATOM 1476 CD ARG A 123 7.472 13.569 -6.826 1.00 0.00 C ATOM 1477 NE ARG A 123 7.798 13.080 -5.454 1.00 0.00 N ATOM 1478 CZ ARG A 123 7.966 11.805 -5.231 1.00 0.00 C ATOM 1479 NH1 ARG A 123 7.854 10.948 -6.210 1.00 0.00 N ATOM 1480 NH2 ARG A 123 8.248 11.387 -4.027 1.00 0.00 N ATOM 0 H ARG A 123 3.689 12.354 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 123 5.753 13.309 -4.321 1.00 0.00 H new ATOM 0 HB2 ARG A 123 4.261 14.713 -6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.767 15.246 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 123 5.645 12.417 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 123 5.739 13.730 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 123 8.020 12.988 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 123 7.788 14.606 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 123 7.890 13.746 -4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 123 7.635 11.275 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 123 7.986 9.952 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 123 8.337 12.056 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.380 10.391 -3.851 1.00 0.00 H new ATOM 1494 N GLU A 124 2.772 14.116 -3.640 1.00 0.00 N ATOM 1495 CA GLU A 124 1.900 14.924 -2.746 1.00 0.00 C ATOM 1496 C GLU A 124 1.721 14.176 -1.407 1.00 0.00 C ATOM 1497 O GLU A 124 0.923 13.262 -1.318 1.00 0.00 O ATOM 1498 CB GLU A 124 0.537 15.087 -3.416 1.00 0.00 C ATOM 1499 CG GLU A 124 -0.305 16.070 -2.611 1.00 0.00 C ATOM 1500 CD GLU A 124 0.221 17.490 -2.827 1.00 0.00 C ATOM 1501 OE1 GLU A 124 0.544 17.814 -3.957 1.00 0.00 O ATOM 1502 OE2 GLU A 124 0.293 18.228 -1.858 1.00 0.00 O ATOM 0 H GLU A 124 2.334 13.277 -4.019 1.00 0.00 H new ATOM 0 HA GLU A 124 2.348 15.901 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.662 15.448 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.032 14.123 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.349 16.007 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.268 15.814 -1.552 1.00 0.00 H new ATOM 1509 N PRO A 125 2.456 14.540 -0.374 1.00 0.00 N ATOM 1510 CA PRO A 125 2.351 13.859 0.953 1.00 0.00 C ATOM 1511 C PRO A 125 1.091 14.285 1.722 1.00 0.00 C ATOM 1512 O PRO A 125 0.828 15.458 1.890 1.00 0.00 O ATOM 1513 CB PRO A 125 3.630 14.292 1.694 1.00 0.00 C ATOM 1514 CG PRO A 125 4.062 15.584 1.058 1.00 0.00 C ATOM 1515 CD PRO A 125 3.452 15.629 -0.352 1.00 0.00 C ATOM 0 HA PRO A 125 2.265 12.777 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.437 14.427 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.408 13.534 1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.724 16.435 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 125 5.149 15.642 1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.985 16.594 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.215 15.481 -1.117 1.00 0.00 H new ATOM 1523 N VAL A 126 0.309 13.336 2.188 1.00 0.00 N ATOM 1524 CA VAL A 126 -0.942 13.674 2.945 1.00 0.00 C ATOM 1525 C VAL A 126 -1.083 12.774 4.176 1.00 0.00 C ATOM 1526 O VAL A 126 -0.492 11.717 4.262 1.00 0.00 O ATOM 1527 CB VAL A 126 -2.157 13.476 2.032 1.00 0.00 C ATOM 1528 CG1 VAL A 126 -1.909 14.171 0.693 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -2.380 11.977 1.789 1.00 0.00 C ATOM 0 H VAL A 126 0.485 12.338 2.076 1.00 0.00 H new ATOM 0 HA VAL A 126 -0.886 14.712 3.272 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.039 13.904 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.773 14.030 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -1.751 15.236 0.860 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -1.026 13.743 0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.244 11.838 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.497 11.550 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -2.557 11.477 2.741 1.00 0.00 H new ATOM 1539 N ASP A 127 -1.882 13.188 5.120 1.00 0.00 N ATOM 1540 CA ASP A 127 -2.095 12.368 6.341 1.00 0.00 C ATOM 1541 C ASP A 127 -2.763 11.047 5.952 1.00 0.00 C ATOM 1542 O ASP A 127 -2.412 9.995 6.446 1.00 0.00 O ATOM 1543 CB ASP A 127 -3.005 13.134 7.302 1.00 0.00 C ATOM 1544 CG ASP A 127 -2.236 14.305 7.915 1.00 0.00 C ATOM 1545 OD1 ASP A 127 -1.018 14.302 7.823 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -2.876 15.186 8.463 1.00 0.00 O ATOM 0 H ASP A 127 -2.400 14.067 5.096 1.00 0.00 H new ATOM 0 HA ASP A 127 -1.139 12.164 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.884 13.501 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -3.362 12.469 8.088 1.00 0.00 H new ATOM 1551 N SER A 128 -3.728 11.097 5.071 1.00 0.00 N ATOM 1552 CA SER A 128 -4.425 9.847 4.650 1.00 0.00 C ATOM 1553 C SER A 128 -5.081 10.064 3.284 1.00 0.00 C ATOM 1554 O SER A 128 -5.343 11.178 2.881 1.00 0.00 O ATOM 1555 CB SER A 128 -5.502 9.494 5.675 1.00 0.00 C ATOM 1556 OG SER A 128 -4.910 9.392 6.963 1.00 0.00 O ATOM 0 H SER A 128 -4.063 11.951 4.625 1.00 0.00 H new ATOM 0 HA SER A 128 -3.702 9.034 4.584 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.280 10.257 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.981 8.552 5.407 1.00 0.00 H new ATOM 0 HG SER A 128 -3.948 9.231 6.869 1.00 0.00 H new ATOM 1562 N ALA A 129 -5.356 9.007 2.568 1.00 0.00 N ATOM 1563 CA ALA A 129 -6.004 9.166 1.233 1.00 0.00 C ATOM 1564 C ALA A 129 -6.491 7.806 0.726 1.00 0.00 C ATOM 1565 O ALA A 129 -6.034 6.768 1.160 1.00 0.00 O ATOM 1566 CB ALA A 129 -5.006 9.769 0.239 1.00 0.00 C ATOM 0 H ALA A 129 -5.162 8.045 2.847 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.859 9.836 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.485 9.883 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.679 10.745 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -4.143 9.109 0.144 1.00 0.00 H new ATOM 1572 N VAL A 130 -7.421 7.811 -0.187 1.00 0.00 N ATOM 1573 CA VAL A 130 -7.955 6.529 -0.726 1.00 0.00 C ATOM 1574 C VAL A 130 -7.022 5.991 -1.816 1.00 0.00 C ATOM 1575 O VAL A 130 -6.618 6.705 -2.709 1.00 0.00 O ATOM 1576 CB VAL A 130 -9.345 6.778 -1.310 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -9.874 5.492 -1.949 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -10.282 7.219 -0.185 1.00 0.00 C ATOM 0 H VAL A 130 -7.837 8.653 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.018 5.793 0.075 1.00 0.00 H new ATOM 0 HB VAL A 130 -9.292 7.556 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.865 5.673 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.199 5.177 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.935 4.709 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -11.278 7.400 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.335 6.437 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.902 8.136 0.266 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.672 4.736 -1.740 1.00 0.00 N ATOM 1589 CA LEU A 131 -5.758 4.143 -2.760 1.00 0.00 C ATOM 1590 C LEU A 131 -6.528 3.875 -4.055 1.00 0.00 C ATOM 1591 O LEU A 131 -7.713 3.622 -4.041 1.00 0.00 O ATOM 1592 CB LEU A 131 -5.195 2.828 -2.216 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.446 3.097 -0.906 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -3.961 1.768 -0.321 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -3.241 4.021 -1.164 1.00 0.00 C ATOM 0 H LEU A 131 -6.981 4.092 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.944 4.837 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.003 2.117 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.522 2.378 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.118 3.586 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -3.427 1.954 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -4.817 1.122 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -3.293 1.280 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.716 4.205 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.563 3.545 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.590 4.968 -1.576 1.00 0.00 H new ATOM 1607 N ALA A 132 -5.855 3.935 -5.179 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.539 3.691 -6.487 1.00 0.00 C ATOM 1609 C ALA A 132 -5.615 2.888 -7.407 1.00 0.00 C ATOM 1610 O ALA A 132 -4.413 2.885 -7.251 1.00 0.00 O ATOM 1611 CB ALA A 132 -6.877 5.029 -7.143 1.00 0.00 C ATOM 0 H ALA A 132 -4.859 4.143 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.457 3.128 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.375 4.851 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.537 5.598 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -5.960 5.593 -7.313 1.00 0.00 H new ATOM 1617 N ASN A 133 -6.180 2.202 -8.360 1.00 0.00 N ATOM 1618 CA ASN A 133 -5.360 1.378 -9.293 1.00 0.00 C ATOM 1619 C ASN A 133 -4.292 2.236 -9.975 1.00 0.00 C ATOM 1620 O ASN A 133 -4.555 3.329 -10.433 1.00 0.00 O ATOM 1621 CB ASN A 133 -6.287 0.775 -10.350 1.00 0.00 C ATOM 1622 CG ASN A 133 -5.565 -0.356 -11.080 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -4.652 -0.955 -10.546 1.00 0.00 O ATOM 1624 ND2 ASN A 133 -5.941 -0.678 -12.285 1.00 0.00 N ATOM 0 H ASN A 133 -7.185 2.176 -8.535 1.00 0.00 H new ATOM 0 HA ASN A 133 -4.858 0.589 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -7.194 0.397 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -6.593 1.543 -11.060 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -5.469 -1.434 -12.782 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -6.707 -0.174 -12.732 1.00 0.00 H new ATOM 1631 N GLY A 134 -3.081 1.740 -10.043 1.00 0.00 N ATOM 1632 CA GLY A 134 -1.986 2.516 -10.690 1.00 0.00 C ATOM 1633 C GLY A 134 -1.428 3.527 -9.694 1.00 0.00 C ATOM 1634 O GLY A 134 -0.788 4.489 -10.070 1.00 0.00 O ATOM 0 H GLY A 134 -2.806 0.829 -9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.196 1.843 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.362 3.030 -11.575 1.00 0.00 H new ATOM 1638 N ASP A 135 -1.665 3.322 -8.422 1.00 0.00 N ATOM 1639 CA ASP A 135 -1.151 4.283 -7.394 1.00 0.00 C ATOM 1640 C ASP A 135 0.165 3.769 -6.810 1.00 0.00 C ATOM 1641 O ASP A 135 0.294 2.615 -6.461 1.00 0.00 O ATOM 1642 CB ASP A 135 -2.186 4.448 -6.279 1.00 0.00 C ATOM 1643 CG ASP A 135 -1.659 5.440 -5.238 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -0.510 5.833 -5.350 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -2.415 5.790 -4.347 1.00 0.00 O ATOM 0 H ASP A 135 -2.192 2.532 -8.050 1.00 0.00 H new ATOM 0 HA ASP A 135 -0.975 5.250 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.129 4.805 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -2.388 3.485 -5.810 1.00 0.00 H new ATOM 1650 N GLU A 136 1.147 4.625 -6.703 1.00 0.00 N ATOM 1651 CA GLU A 136 2.464 4.201 -6.141 1.00 0.00 C ATOM 1652 C GLU A 136 2.496 4.511 -4.646 1.00 0.00 C ATOM 1653 O GLU A 136 2.175 5.602 -4.225 1.00 0.00 O ATOM 1654 CB GLU A 136 3.578 4.975 -6.844 1.00 0.00 C ATOM 1655 CG GLU A 136 3.673 4.507 -8.295 1.00 0.00 C ATOM 1656 CD GLU A 136 4.721 5.338 -9.035 1.00 0.00 C ATOM 1657 OE1 GLU A 136 5.279 6.234 -8.421 1.00 0.00 O ATOM 1658 OE2 GLU A 136 4.946 5.066 -10.202 1.00 0.00 O ATOM 0 H GLU A 136 1.093 5.605 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 136 2.606 3.131 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 136 3.374 6.045 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.528 4.814 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 136 3.941 3.451 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 136 2.704 4.607 -8.784 1.00 0.00 H new ATOM 1665 N VAL A 137 2.876 3.550 -3.841 1.00 0.00 N ATOM 1666 CA VAL A 137 2.931 3.763 -2.359 1.00 0.00 C ATOM 1667 C VAL A 137 4.334 3.432 -1.858 1.00 0.00 C ATOM 1668 O VAL A 137 4.896 2.410 -2.192 1.00 0.00 O ATOM 1669 CB VAL A 137 1.915 2.838 -1.684 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.126 2.846 -0.165 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.502 3.329 -2.005 1.00 0.00 C ATOM 0 H VAL A 137 3.153 2.618 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 137 2.695 4.800 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 137 2.049 1.822 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.399 2.185 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.134 2.499 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.996 3.859 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.228 2.675 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.377 4.346 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.349 3.317 -3.084 1.00 0.00 H new ATOM 1681 N GLN A 138 4.901 4.293 -1.054 1.00 0.00 N ATOM 1682 CA GLN A 138 6.273 4.047 -0.509 1.00 0.00 C ATOM 1683 C GLN A 138 6.229 4.153 1.013 1.00 0.00 C ATOM 1684 O GLN A 138 5.753 5.127 1.558 1.00 0.00 O ATOM 1685 CB GLN A 138 7.240 5.094 -1.060 1.00 0.00 C ATOM 1686 CG GLN A 138 8.640 4.819 -0.511 1.00 0.00 C ATOM 1687 CD GLN A 138 9.650 5.736 -1.197 1.00 0.00 C ATOM 1688 OE1 GLN A 138 9.288 6.544 -2.030 1.00 0.00 O ATOM 1689 NE2 GLN A 138 10.912 5.641 -0.883 1.00 0.00 N ATOM 0 H GLN A 138 4.469 5.165 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 138 6.611 3.053 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 138 7.250 5.060 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.914 6.094 -0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.658 4.984 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 138 8.909 3.776 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 138 11.214 4.962 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 138 11.597 6.245 -1.337 1.00 0.00 H new ATOM 1698 N ILE A 139 6.720 3.155 1.703 1.00 0.00 N ATOM 1699 CA ILE A 139 6.714 3.182 3.202 1.00 0.00 C ATOM 1700 C ILE A 139 8.152 3.207 3.723 1.00 0.00 C ATOM 1701 O ILE A 139 8.972 2.387 3.361 1.00 0.00 O ATOM 1702 CB ILE A 139 6.007 1.927 3.722 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.530 1.974 3.318 1.00 0.00 C ATOM 1704 CG2 ILE A 139 6.120 1.867 5.247 1.00 0.00 C ATOM 1705 CD1 ILE A 139 3.880 0.617 3.588 1.00 0.00 C ATOM 0 H ILE A 139 7.128 2.316 1.292 1.00 0.00 H new ATOM 0 HA ILE A 139 6.191 4.073 3.549 1.00 0.00 H new ATOM 0 HB ILE A 139 6.475 1.041 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 139 4.014 2.753 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.440 2.228 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 139 5.616 0.973 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.171 1.834 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 139 5.653 2.751 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.829 0.653 3.300 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.389 -0.152 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.957 0.381 4.649 1.00 0.00 H new ATOM 1717 N GLY A 140 8.462 4.148 4.574 1.00 0.00 N ATOM 1718 CA GLY A 140 9.842 4.233 5.131 1.00 0.00 C ATOM 1719 C GLY A 140 10.862 4.316 3.994 1.00 0.00 C ATOM 1720 O GLY A 140 11.147 5.376 3.480 1.00 0.00 O ATOM 0 H GLY A 140 7.816 4.864 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 140 9.930 5.109 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 140 10.047 3.360 5.751 1.00 0.00 H new ATOM 1724 N LYS A 141 11.417 3.195 3.609 1.00 0.00 N ATOM 1725 CA LYS A 141 12.433 3.173 2.509 1.00 0.00 C ATOM 1726 C LYS A 141 12.025 2.129 1.472 1.00 0.00 C ATOM 1727 O LYS A 141 12.489 2.137 0.350 1.00 0.00 O ATOM 1728 CB LYS A 141 13.795 2.801 3.104 1.00 0.00 C ATOM 1729 CG LYS A 141 13.720 1.403 3.732 1.00 0.00 C ATOM 1730 CD LYS A 141 15.036 1.071 4.447 1.00 0.00 C ATOM 1731 CE LYS A 141 16.161 0.869 3.424 1.00 0.00 C ATOM 1732 NZ LYS A 141 17.306 0.176 4.081 1.00 0.00 N ATOM 0 H LYS A 141 11.208 2.282 4.014 1.00 0.00 H new ATOM 0 HA LYS A 141 12.494 4.152 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 141 14.560 2.821 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 141 14.086 3.533 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 141 12.892 1.358 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 141 13.520 0.660 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 141 15.299 1.877 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 141 14.914 0.169 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 141 15.800 0.280 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 141 16.483 1.831 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 18.071 0.037 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 17.655 0.755 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 16.992 -0.748 4.440 1.00 0.00 H new ATOM 1746 N PHE A 142 11.164 1.223 1.843 1.00 0.00 N ATOM 1747 CA PHE A 142 10.730 0.171 0.884 1.00 0.00 C ATOM 1748 C PHE A 142 9.764 0.773 -0.136 1.00 0.00 C ATOM 1749 O PHE A 142 8.936 1.598 0.193 1.00 0.00 O ATOM 1750 CB PHE A 142 10.031 -0.949 1.652 1.00 0.00 C ATOM 1751 CG PHE A 142 11.033 -1.637 2.544 1.00 0.00 C ATOM 1752 CD1 PHE A 142 11.824 -2.675 2.040 1.00 0.00 C ATOM 1753 CD2 PHE A 142 11.174 -1.231 3.875 1.00 0.00 C ATOM 1754 CE1 PHE A 142 12.758 -3.307 2.870 1.00 0.00 C ATOM 1755 CE2 PHE A 142 12.107 -1.864 4.705 1.00 0.00 C ATOM 1756 CZ PHE A 142 12.899 -2.901 4.203 1.00 0.00 C ATOM 0 H PHE A 142 10.742 1.166 2.770 1.00 0.00 H new ATOM 0 HA PHE A 142 11.599 -0.229 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.214 -0.543 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 142 9.593 -1.665 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 142 11.714 -2.988 1.012 1.00 0.00 H new ATOM 0 HD2 PHE A 142 10.563 -0.429 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 142 13.370 -4.108 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 142 12.215 -1.551 5.733 1.00 0.00 H new ATOM 0 HZ PHE A 142 13.619 -3.389 4.843 1.00 0.00 H new ATOM 1766 N ARG A 143 9.865 0.364 -1.375 1.00 0.00 N ATOM 1767 CA ARG A 143 8.956 0.904 -2.436 1.00 0.00 C ATOM 1768 C ARG A 143 7.906 -0.142 -2.799 1.00 0.00 C ATOM 1769 O ARG A 143 8.217 -1.291 -3.038 1.00 0.00 O ATOM 1770 CB ARG A 143 9.780 1.239 -3.676 1.00 0.00 C ATOM 1771 CG ARG A 143 10.648 2.462 -3.386 1.00 0.00 C ATOM 1772 CD ARG A 143 11.471 2.804 -4.625 1.00 0.00 C ATOM 1773 NE ARG A 143 12.325 3.992 -4.338 1.00 0.00 N ATOM 1774 CZ ARG A 143 11.846 5.199 -4.488 1.00 0.00 C ATOM 1775 NH1 ARG A 143 10.609 5.369 -4.875 1.00 0.00 N ATOM 1776 NH2 ARG A 143 12.601 6.236 -4.247 1.00 0.00 N ATOM 0 H ARG A 143 10.542 -0.326 -1.701 1.00 0.00 H new ATOM 0 HA ARG A 143 8.459 1.800 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.406 0.391 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.122 1.437 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 143 10.021 3.309 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.307 2.262 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.093 1.955 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 143 10.811 3.011 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 143 13.287 3.862 -4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 143 10.017 4.559 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 143 10.236 6.311 -4.992 1.00 0.00 H new ATOM 0 HH21 ARG A 143 13.565 6.105 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 143 12.227 7.178 -4.364 1.00 0.00 H new ATOM 1790 N LEU A 144 6.660 0.253 -2.847 1.00 0.00 N ATOM 1791 CA LEU A 144 5.567 -0.705 -3.201 1.00 0.00 C ATOM 1792 C LEU A 144 4.632 -0.047 -4.208 1.00 0.00 C ATOM 1793 O LEU A 144 4.494 1.158 -4.242 1.00 0.00 O ATOM 1794 CB LEU A 144 4.768 -1.070 -1.943 1.00 0.00 C ATOM 1795 CG LEU A 144 5.672 -1.822 -0.934 1.00 0.00 C ATOM 1796 CD1 LEU A 144 6.269 -0.836 0.078 1.00 0.00 C ATOM 1797 CD2 LEU A 144 4.848 -2.875 -0.182 1.00 0.00 C ATOM 0 H LEU A 144 6.349 1.205 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 144 6.004 -1.607 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.369 -0.166 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.915 -1.693 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 144 6.478 -2.309 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.902 -1.376 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.865 -0.091 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.464 -0.340 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.489 -3.401 0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.037 -2.385 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.432 -3.588 -0.894 1.00 0.00 H new ATOM 1809 N VAL A 145 3.983 -0.833 -5.027 1.00 0.00 N ATOM 1810 CA VAL A 145 3.038 -0.271 -6.041 1.00 0.00 C ATOM 1811 C VAL A 145 1.656 -0.888 -5.821 1.00 0.00 C ATOM 1812 O VAL A 145 1.511 -2.086 -5.680 1.00 0.00 O ATOM 1813 CB VAL A 145 3.547 -0.599 -7.448 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.418 -2.100 -7.721 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.721 0.181 -8.472 1.00 0.00 C ATOM 0 H VAL A 145 4.067 -1.849 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 145 2.972 0.812 -5.936 1.00 0.00 H new ATOM 0 HB VAL A 145 4.597 -0.318 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.783 -2.320 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 145 4.007 -2.655 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.372 -2.395 -7.643 1.00 0.00 H new ATOM 0 HG21 VAL A 145 3.077 -0.047 -9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.672 -0.103 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.824 1.250 -8.284 1.00 0.00 H new ATOM 1825 N PHE A 146 0.640 -0.069 -5.776 1.00 0.00 N ATOM 1826 CA PHE A 146 -0.741 -0.587 -5.550 1.00 0.00 C ATOM 1827 C PHE A 146 -1.409 -0.847 -6.899 1.00 0.00 C ATOM 1828 O PHE A 146 -1.708 0.072 -7.645 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.535 0.473 -4.787 1.00 0.00 C ATOM 1830 CG PHE A 146 -2.952 0.005 -4.574 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -3.929 0.284 -5.535 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.292 -0.698 -3.413 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -5.247 -0.141 -5.337 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -4.610 -1.119 -3.212 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.589 -0.841 -4.175 1.00 0.00 C ATOM 0 H PHE A 146 0.707 0.943 -5.887 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.708 -1.515 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.061 0.672 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.533 1.410 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -3.666 0.828 -6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.537 -0.915 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -6.000 0.071 -6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.874 -1.659 -2.314 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.607 -1.167 -4.020 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.639 -2.101 -7.218 1.00 0.00 N ATOM 1846 CA LEU A 147 -2.281 -2.459 -8.522 1.00 0.00 C ATOM 1847 C LEU A 147 -3.434 -3.431 -8.279 1.00 0.00 C ATOM 1848 O LEU A 147 -3.369 -4.290 -7.424 1.00 0.00 O ATOM 1849 CB LEU A 147 -1.239 -3.126 -9.424 1.00 0.00 C ATOM 1850 CG LEU A 147 -0.106 -2.138 -9.732 1.00 0.00 C ATOM 1851 CD1 LEU A 147 0.992 -2.864 -10.515 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -0.640 -0.958 -10.565 1.00 0.00 C ATOM 0 H LEU A 147 -1.407 -2.897 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 147 -2.665 -1.557 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.837 -4.013 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -1.707 -3.457 -10.351 1.00 0.00 H new ATOM 0 HG LEU A 147 0.299 -1.752 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.801 -2.168 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.378 -3.691 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 147 0.579 -3.251 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 147 0.174 -0.264 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.052 -1.331 -11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -1.421 -0.442 -10.006 1.00 0.00 H new ATOM 1864 N THR A 148 -4.493 -3.297 -9.029 1.00 0.00 N ATOM 1865 CA THR A 148 -5.662 -4.208 -8.854 1.00 0.00 C ATOM 1866 C THR A 148 -5.460 -5.476 -9.688 1.00 0.00 C ATOM 1867 O THR A 148 -4.544 -5.571 -10.478 1.00 0.00 O ATOM 1868 CB THR A 148 -6.930 -3.491 -9.314 1.00 0.00 C ATOM 1869 OG1 THR A 148 -6.807 -3.153 -10.687 1.00 0.00 O ATOM 1870 CG2 THR A 148 -7.128 -2.221 -8.486 1.00 0.00 C ATOM 0 H THR A 148 -4.600 -2.593 -9.759 1.00 0.00 H new ATOM 0 HA THR A 148 -5.755 -4.483 -7.803 1.00 0.00 H new ATOM 0 HB THR A 148 -7.790 -4.146 -9.178 1.00 0.00 H new ATOM 0 HG1 THR A 148 -7.620 -2.694 -10.985 1.00 0.00 H new ATOM 0 HG21 THR A 148 -8.033 -1.710 -8.815 1.00 0.00 H new ATOM 0 HG22 THR A 148 -7.222 -2.484 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 148 -6.270 -1.562 -8.620 1.00 0.00 H new