USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=15 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 120 TYR OH : rot -103:sc= 0.611 USER MOD Set 1.2: A 138 GLN : amide:sc= -2.81! C(o=-2.2!,f=-11!) USER MOD Set 2.1: A 98 HIS : no HE2:sc= 0.125 K(o=0.6,f=-6.2!) USER MOD Set 2.2: A 119 THR OG1 : rot 66:sc= 0.477 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 68 SER OG : rot -125:sc= 0.0669 USER MOD Single : A 74 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.18) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 140:sc= 0.0189 USER MOD Single : A 82 HIS : no HE2:sc= -6.41! C(o=-6.4!,f=-14!) USER MOD Single : A 85 SER OG : rot 21:sc= 0.308! USER MOD Single : A 93 THR OG1 : rot -71:sc= 0.725 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.42) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0488 F(o=-1.5!,f=-0.049) USER MOD Single : A 109 ASN : amide:sc= -0.949 K(o=-0.95,f=-5.2!) USER MOD Single : A 122 ASN : amide:sc= -0.0577 K(o=-0.058,f=-2!) USER MOD Single : A 128 SER OG : rot -31:sc= 0.912! USER MOD Single : A 133 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.6!) USER MOD Single : A 141 LYS NZ :NH3+ -152:sc= -0.0999 (180deg=-0.555) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -12.845 -5.229 -5.546 1.00 0.00 N ATOM 417 CA GLY A 54 -12.701 -4.774 -4.131 1.00 0.00 C ATOM 418 C GLY A 54 -11.363 -5.271 -3.577 1.00 0.00 C ATOM 419 O GLY A 54 -10.870 -4.770 -2.588 1.00 0.00 O ATOM 0 HA2 GLY A 54 -12.748 -3.686 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.523 -5.158 -3.527 1.00 0.00 H new ATOM 423 N LEU A 55 -10.771 -6.260 -4.204 1.00 0.00 N ATOM 424 CA LEU A 55 -9.464 -6.800 -3.709 1.00 0.00 C ATOM 425 C LEU A 55 -8.310 -6.240 -4.546 1.00 0.00 C ATOM 426 O LEU A 55 -8.458 -5.943 -5.715 1.00 0.00 O ATOM 427 CB LEU A 55 -9.476 -8.333 -3.807 1.00 0.00 C ATOM 428 CG LEU A 55 -10.208 -8.922 -2.595 1.00 0.00 C ATOM 429 CD1 LEU A 55 -11.680 -8.497 -2.622 1.00 0.00 C ATOM 430 CD2 LEU A 55 -10.105 -10.448 -2.633 1.00 0.00 C ATOM 0 H LEU A 55 -11.137 -6.717 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.324 -6.500 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.968 -8.644 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.455 -8.713 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.750 -8.552 -1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.196 -8.918 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.745 -7.409 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.147 -8.861 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.625 -10.869 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.561 -10.821 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.056 -10.743 -2.603 1.00 0.00 H new ATOM 442 N ALA A 56 -7.158 -6.091 -3.945 1.00 0.00 N ATOM 443 CA ALA A 56 -5.986 -5.548 -4.686 1.00 0.00 C ATOM 444 C ALA A 56 -4.702 -6.151 -4.119 1.00 0.00 C ATOM 445 O ALA A 56 -4.701 -6.748 -3.057 1.00 0.00 O ATOM 446 CB ALA A 56 -5.946 -4.030 -4.532 1.00 0.00 C ATOM 0 H ALA A 56 -6.980 -6.324 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.073 -5.804 -5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.088 -3.632 -5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.862 -3.599 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.859 -3.774 -3.476 1.00 0.00 H new ATOM 452 N LEU A 57 -3.611 -6.007 -4.828 1.00 0.00 N ATOM 453 CA LEU A 57 -2.315 -6.575 -4.355 1.00 0.00 C ATOM 454 C LEU A 57 -1.224 -5.515 -4.442 1.00 0.00 C ATOM 455 O LEU A 57 -1.297 -4.585 -5.225 1.00 0.00 O ATOM 456 CB LEU A 57 -1.928 -7.759 -5.243 1.00 0.00 C ATOM 457 CG LEU A 57 -2.941 -8.919 -5.067 1.00 0.00 C ATOM 458 CD1 LEU A 57 -4.056 -8.821 -6.117 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.223 -10.264 -5.228 1.00 0.00 C ATOM 0 H LEU A 57 -3.564 -5.516 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.424 -6.903 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.902 -7.446 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.925 -8.101 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.377 -8.847 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.759 -9.643 -5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.580 -7.872 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.622 -8.878 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.939 -11.076 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.778 -10.322 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.441 -10.351 -4.474 1.00 0.00 H new ATOM 471 N LEU A 58 -0.207 -5.664 -3.637 1.00 0.00 N ATOM 472 CA LEU A 58 0.925 -4.693 -3.635 1.00 0.00 C ATOM 473 C LEU A 58 2.192 -5.413 -4.075 1.00 0.00 C ATOM 474 O LEU A 58 2.454 -6.521 -3.659 1.00 0.00 O ATOM 475 CB LEU A 58 1.100 -4.156 -2.212 1.00 0.00 C ATOM 476 CG LEU A 58 0.040 -3.073 -1.927 1.00 0.00 C ATOM 477 CD1 LEU A 58 -0.227 -2.991 -0.421 1.00 0.00 C ATOM 478 CD2 LEU A 58 0.545 -1.707 -2.412 1.00 0.00 C ATOM 0 H LEU A 58 -0.111 -6.430 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 58 0.725 -3.867 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.004 -4.969 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.100 -3.739 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.878 -3.336 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.977 -2.224 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.591 -3.954 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.697 -2.736 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.209 -0.947 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.467 -1.453 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.736 -1.749 -3.484 1.00 0.00 H new ATOM 490 N VAL A 59 2.972 -4.793 -4.923 1.00 0.00 N ATOM 491 CA VAL A 59 4.229 -5.437 -5.414 1.00 0.00 C ATOM 492 C VAL A 59 5.429 -4.570 -5.048 1.00 0.00 C ATOM 493 O VAL A 59 5.418 -3.366 -5.207 1.00 0.00 O ATOM 494 CB VAL A 59 4.149 -5.594 -6.934 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.518 -6.007 -7.486 1.00 0.00 C ATOM 496 CG2 VAL A 59 3.117 -6.671 -7.268 1.00 0.00 C ATOM 0 H VAL A 59 2.791 -3.862 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 59 4.345 -6.416 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 59 3.855 -4.646 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.456 -6.117 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.255 -5.242 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.818 -6.956 -7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.053 -6.790 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.418 -7.616 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.143 -6.376 -6.877 1.00 0.00 H new ATOM 506 N VAL A 60 6.467 -5.182 -4.557 1.00 0.00 N ATOM 507 CA VAL A 60 7.673 -4.407 -4.179 1.00 0.00 C ATOM 508 C VAL A 60 8.470 -4.034 -5.432 1.00 0.00 C ATOM 509 O VAL A 60 8.970 -4.885 -6.141 1.00 0.00 O ATOM 510 CB VAL A 60 8.536 -5.261 -3.255 1.00 0.00 C ATOM 511 CG1 VAL A 60 9.676 -4.418 -2.687 1.00 0.00 C ATOM 512 CG2 VAL A 60 7.671 -5.784 -2.107 1.00 0.00 C ATOM 0 H VAL A 60 6.530 -6.188 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 60 7.375 -3.491 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 60 8.954 -6.097 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.289 -5.032 -2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.290 -4.038 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.264 -3.581 -2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.280 -6.396 -1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.258 -4.943 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 60 6.857 -6.387 -2.510 1.00 0.00 H new ATOM 522 N LYS A 61 8.589 -2.765 -5.706 1.00 0.00 N ATOM 523 CA LYS A 61 9.352 -2.325 -6.906 1.00 0.00 C ATOM 524 C LYS A 61 10.833 -2.660 -6.733 1.00 0.00 C ATOM 525 O LYS A 61 11.478 -3.159 -7.633 1.00 0.00 O ATOM 526 CB LYS A 61 9.201 -0.816 -7.055 1.00 0.00 C ATOM 527 CG LYS A 61 7.755 -0.475 -7.420 1.00 0.00 C ATOM 528 CD LYS A 61 7.577 1.050 -7.457 1.00 0.00 C ATOM 529 CE LYS A 61 8.192 1.631 -8.737 1.00 0.00 C ATOM 530 NZ LYS A 61 7.748 3.044 -8.903 1.00 0.00 N ATOM 0 H LYS A 61 8.189 -2.011 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 61 8.968 -2.836 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.478 -0.320 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.877 -0.448 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.504 -0.904 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.073 -0.913 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.517 1.300 -7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.049 1.499 -6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.280 1.584 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.888 1.039 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.164 3.439 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.711 3.076 -8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.059 3.604 -8.084 1.00 0.00 H new ATOM 544 N ARG A 62 11.385 -2.381 -5.582 1.00 0.00 N ATOM 545 CA ARG A 62 12.830 -2.677 -5.363 1.00 0.00 C ATOM 546 C ARG A 62 13.111 -2.885 -3.878 1.00 0.00 C ATOM 547 O ARG A 62 12.449 -2.332 -3.024 1.00 0.00 O ATOM 548 CB ARG A 62 13.681 -1.511 -5.873 1.00 0.00 C ATOM 549 CG ARG A 62 15.162 -1.854 -5.686 1.00 0.00 C ATOM 550 CD ARG A 62 16.028 -0.786 -6.354 1.00 0.00 C ATOM 551 NE ARG A 62 15.819 -0.839 -7.828 1.00 0.00 N ATOM 552 CZ ARG A 62 16.226 0.142 -8.585 1.00 0.00 C ATOM 553 NH1 ARG A 62 16.830 1.169 -8.059 1.00 0.00 N ATOM 554 NH2 ARG A 62 16.030 0.091 -9.875 1.00 0.00 N ATOM 0 H ARG A 62 10.900 -1.963 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 62 13.083 -3.587 -5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.468 -1.322 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.434 -0.599 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.399 -1.916 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.376 -2.832 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.768 0.201 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.079 -0.952 -6.117 1.00 0.00 H new ATOM 0 HE ARG A 62 15.356 -1.646 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.986 1.208 -7.052 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.147 1.934 -8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.560 -0.714 -10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.347 0.857 -10.470 1.00 0.00 H new ATOM 568 N GLY A 63 14.106 -3.673 -3.571 1.00 0.00 N ATOM 569 CA GLY A 63 14.461 -3.921 -2.146 1.00 0.00 C ATOM 570 C GLY A 63 15.048 -5.330 -2.012 1.00 0.00 C ATOM 571 O GLY A 63 15.213 -6.035 -2.987 1.00 0.00 O ATOM 0 H GLY A 63 14.691 -4.158 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.183 -3.179 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.577 -3.820 -1.516 1.00 0.00 H new ATOM 575 N PRO A 64 15.351 -5.739 -0.807 1.00 0.00 N ATOM 576 CA PRO A 64 15.924 -7.095 -0.528 1.00 0.00 C ATOM 577 C PRO A 64 15.079 -8.223 -1.144 1.00 0.00 C ATOM 578 O PRO A 64 15.598 -9.209 -1.634 1.00 0.00 O ATOM 579 CB PRO A 64 15.900 -7.186 1.009 1.00 0.00 C ATOM 580 CG PRO A 64 15.916 -5.767 1.487 1.00 0.00 C ATOM 581 CD PRO A 64 15.189 -4.947 0.420 1.00 0.00 C ATOM 0 HA PRO A 64 16.918 -7.213 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.010 -7.709 1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.762 -7.738 1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.419 -5.676 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 64 16.938 -5.413 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.137 -4.809 0.670 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.625 -3.953 0.314 1.00 0.00 H new ATOM 589 N ASN A 65 13.784 -8.086 -1.111 1.00 0.00 N ATOM 590 CA ASN A 65 12.897 -9.140 -1.678 1.00 0.00 C ATOM 591 C ASN A 65 12.786 -8.956 -3.194 1.00 0.00 C ATOM 592 O ASN A 65 13.386 -9.677 -3.963 1.00 0.00 O ATOM 593 CB ASN A 65 11.507 -9.023 -1.053 1.00 0.00 C ATOM 594 CG ASN A 65 11.620 -9.070 0.472 1.00 0.00 C ATOM 595 OD1 ASN A 65 12.553 -9.795 1.027 1.00 0.00 O flip ATOM 596 ND2 ASN A 65 10.850 -8.439 1.166 1.00 0.00 N flip ATOM 0 H ASN A 65 13.298 -7.283 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 65 13.317 -10.122 -1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.036 -8.090 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.870 -9.835 -1.405 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.121 -7.872 0.733 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.932 -8.475 2.182 1.00 0.00 H new ATOM 603 N ALA A 66 12.009 -7.995 -3.619 1.00 0.00 N ATOM 604 CA ALA A 66 11.829 -7.735 -5.079 1.00 0.00 C ATOM 605 C ALA A 66 11.019 -8.867 -5.724 1.00 0.00 C ATOM 606 O ALA A 66 11.428 -10.012 -5.742 1.00 0.00 O ATOM 607 CB ALA A 66 13.195 -7.607 -5.768 1.00 0.00 C ATOM 0 H ALA A 66 11.484 -7.370 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 66 11.284 -6.799 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.050 -7.418 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.750 -6.780 -5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.756 -8.532 -5.638 1.00 0.00 H new ATOM 613 N GLY A 67 9.869 -8.545 -6.263 1.00 0.00 N ATOM 614 CA GLY A 67 9.014 -9.582 -6.918 1.00 0.00 C ATOM 615 C GLY A 67 7.977 -10.089 -5.913 1.00 0.00 C ATOM 616 O GLY A 67 7.006 -10.723 -6.270 1.00 0.00 O ATOM 0 H GLY A 67 9.483 -7.601 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.516 -9.161 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.631 -10.409 -7.271 1.00 0.00 H new ATOM 620 N SER A 68 8.183 -9.819 -4.655 1.00 0.00 N ATOM 621 CA SER A 68 7.222 -10.292 -3.617 1.00 0.00 C ATOM 622 C SER A 68 5.874 -9.577 -3.766 1.00 0.00 C ATOM 623 O SER A 68 5.812 -8.414 -4.124 1.00 0.00 O ATOM 624 CB SER A 68 7.800 -10.002 -2.234 1.00 0.00 C ATOM 625 OG SER A 68 6.897 -10.470 -1.242 1.00 0.00 O ATOM 0 H SER A 68 8.978 -9.289 -4.298 1.00 0.00 H new ATOM 0 HA SER A 68 7.064 -11.363 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.768 -10.491 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.968 -8.932 -2.114 1.00 0.00 H new ATOM 0 HG SER A 68 6.671 -9.736 -0.633 1.00 0.00 H new ATOM 631 N ARG A 69 4.793 -10.271 -3.483 1.00 0.00 N ATOM 632 CA ARG A 69 3.432 -9.655 -3.594 1.00 0.00 C ATOM 633 C ARG A 69 2.614 -9.983 -2.342 1.00 0.00 C ATOM 634 O ARG A 69 2.821 -10.997 -1.705 1.00 0.00 O ATOM 635 CB ARG A 69 2.721 -10.210 -4.835 1.00 0.00 C ATOM 636 CG ARG A 69 2.614 -11.736 -4.745 1.00 0.00 C ATOM 637 CD ARG A 69 1.894 -12.263 -5.990 1.00 0.00 C ATOM 638 NE ARG A 69 2.731 -11.990 -7.194 1.00 0.00 N ATOM 639 CZ ARG A 69 2.280 -12.266 -8.390 1.00 0.00 C ATOM 640 NH1 ARG A 69 1.087 -12.770 -8.541 1.00 0.00 N ATOM 641 NH2 ARG A 69 3.026 -12.031 -9.434 1.00 0.00 N ATOM 0 H ARG A 69 4.798 -11.244 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 69 3.530 -8.573 -3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.726 -9.773 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.270 -9.929 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.607 -12.179 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.068 -12.022 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.713 -13.333 -5.894 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.921 -11.783 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 69 3.661 -11.586 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.502 -12.950 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.738 -12.984 -9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.958 -11.633 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.678 -12.245 -10.368 1.00 0.00 H new ATOM 655 N PHE A 70 1.684 -9.128 -1.987 1.00 0.00 N ATOM 656 CA PHE A 70 0.840 -9.371 -0.776 1.00 0.00 C ATOM 657 C PHE A 70 -0.632 -9.245 -1.161 1.00 0.00 C ATOM 658 O PHE A 70 -1.003 -8.405 -1.959 1.00 0.00 O ATOM 659 CB PHE A 70 1.182 -8.330 0.286 1.00 0.00 C ATOM 660 CG PHE A 70 2.631 -8.483 0.673 1.00 0.00 C ATOM 661 CD1 PHE A 70 3.010 -9.479 1.581 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.596 -7.633 0.122 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.356 -9.624 1.938 1.00 0.00 C ATOM 664 CE2 PHE A 70 4.942 -7.778 0.478 1.00 0.00 C ATOM 665 CZ PHE A 70 5.321 -8.773 1.387 1.00 0.00 C ATOM 0 H PHE A 70 1.473 -8.266 -2.489 1.00 0.00 H new ATOM 0 HA PHE A 70 1.029 -10.370 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.999 -7.326 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.543 -8.459 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.265 -10.135 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.302 -6.865 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.650 -10.392 2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.687 -7.123 0.052 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.359 -8.884 1.663 1.00 0.00 H new ATOM 675 N LEU A 71 -1.472 -10.077 -0.601 1.00 0.00 N ATOM 676 CA LEU A 71 -2.931 -10.028 -0.930 1.00 0.00 C ATOM 677 C LEU A 71 -3.697 -9.330 0.195 1.00 0.00 C ATOM 678 O LEU A 71 -3.574 -9.677 1.353 1.00 0.00 O ATOM 679 CB LEU A 71 -3.446 -11.464 -1.098 1.00 0.00 C ATOM 680 CG LEU A 71 -4.968 -11.473 -1.317 1.00 0.00 C ATOM 681 CD1 LEU A 71 -5.339 -10.590 -2.518 1.00 0.00 C ATOM 682 CD2 LEU A 71 -5.428 -12.913 -1.582 1.00 0.00 C ATOM 0 H LEU A 71 -1.209 -10.794 0.075 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.082 -9.469 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.949 -11.937 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.197 -12.051 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.460 -11.081 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.419 -10.606 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.013 -9.567 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.849 -10.970 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.507 -12.927 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.927 -13.297 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.177 -13.539 -0.725 1.00 0.00 H new ATOM 694 N LEU A 72 -4.493 -8.348 -0.137 1.00 0.00 N ATOM 695 CA LEU A 72 -5.276 -7.630 0.910 1.00 0.00 C ATOM 696 C LEU A 72 -6.650 -8.288 1.049 1.00 0.00 C ATOM 697 O LEU A 72 -7.650 -7.764 0.599 1.00 0.00 O ATOM 698 CB LEU A 72 -5.444 -6.171 0.486 1.00 0.00 C ATOM 699 CG LEU A 72 -4.062 -5.557 0.232 1.00 0.00 C ATOM 700 CD1 LEU A 72 -4.226 -4.106 -0.233 1.00 0.00 C ATOM 701 CD2 LEU A 72 -3.219 -5.600 1.519 1.00 0.00 C ATOM 0 H LEU A 72 -4.635 -8.012 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.756 -7.676 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.054 -6.110 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.966 -5.612 1.262 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.552 -6.131 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.244 -3.669 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.809 -4.083 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.742 -3.533 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.240 -5.162 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.723 -5.034 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.097 -6.635 1.840 1.00 0.00 H new ATOM 713 N ASP A 73 -6.706 -9.437 1.672 1.00 0.00 N ATOM 714 CA ASP A 73 -8.010 -10.139 1.848 1.00 0.00 C ATOM 715 C ASP A 73 -8.590 -9.783 3.217 1.00 0.00 C ATOM 716 O ASP A 73 -9.602 -10.313 3.624 1.00 0.00 O ATOM 717 CB ASP A 73 -7.790 -11.655 1.754 1.00 0.00 C ATOM 718 CG ASP A 73 -6.704 -12.082 2.743 1.00 0.00 C ATOM 719 OD1 ASP A 73 -6.128 -11.210 3.373 1.00 0.00 O ATOM 720 OD2 ASP A 73 -6.465 -13.273 2.853 1.00 0.00 O ATOM 0 H ASP A 73 -5.900 -9.920 2.068 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.705 -9.829 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.720 -12.181 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.499 -11.927 0.740 1.00 0.00 H new ATOM 725 N GLN A 74 -7.951 -8.881 3.931 1.00 0.00 N ATOM 726 CA GLN A 74 -8.454 -8.478 5.285 1.00 0.00 C ATOM 727 C GLN A 74 -8.879 -7.008 5.264 1.00 0.00 C ATOM 728 O GLN A 74 -8.229 -6.169 4.673 1.00 0.00 O ATOM 729 CB GLN A 74 -7.340 -8.673 6.322 1.00 0.00 C ATOM 730 CG GLN A 74 -7.885 -8.405 7.731 1.00 0.00 C ATOM 731 CD GLN A 74 -8.925 -9.468 8.087 1.00 0.00 C ATOM 732 OE1 GLN A 74 -10.058 -9.152 8.385 1.00 0.00 O ATOM 733 NE2 GLN A 74 -8.585 -10.729 8.066 1.00 0.00 N ATOM 0 H GLN A 74 -7.100 -8.406 3.631 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.312 -9.096 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.948 -9.688 6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.511 -7.998 6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.071 -8.420 8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.334 -7.413 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.633 -10.996 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.271 -11.446 8.300 1.00 0.00 H new ATOM 742 N ALA A 75 -9.970 -6.698 5.909 1.00 0.00 N ATOM 743 CA ALA A 75 -10.454 -5.290 5.938 1.00 0.00 C ATOM 744 C ALA A 75 -9.393 -4.385 6.565 1.00 0.00 C ATOM 745 O ALA A 75 -9.030 -3.370 6.009 1.00 0.00 O ATOM 746 CB ALA A 75 -11.723 -5.224 6.783 1.00 0.00 C ATOM 0 H ALA A 75 -10.550 -7.364 6.420 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.656 -4.956 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.088 -4.197 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.486 -5.868 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.503 -5.560 7.796 1.00 0.00 H new ATOM 752 N ILE A 76 -8.890 -4.747 7.722 1.00 0.00 N ATOM 753 CA ILE A 76 -7.843 -3.911 8.393 1.00 0.00 C ATOM 754 C ILE A 76 -6.516 -4.658 8.351 1.00 0.00 C ATOM 755 O ILE A 76 -6.401 -5.758 8.854 1.00 0.00 O ATOM 756 CB ILE A 76 -8.242 -3.655 9.847 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.714 -3.219 9.908 1.00 0.00 C ATOM 758 CG2 ILE A 76 -7.349 -2.562 10.441 1.00 0.00 C ATOM 759 CD1 ILE A 76 -9.948 -1.988 9.019 1.00 0.00 C ATOM 0 H ILE A 76 -9.160 -5.588 8.232 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.747 -2.955 7.877 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.116 -4.571 10.424 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.356 -4.038 9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.989 -2.989 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.635 -2.381 11.477 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.308 -2.882 10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.467 -1.643 9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.996 -1.693 9.074 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.321 -1.166 9.364 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.693 -2.231 7.987 1.00 0.00 H new ATOM 771 N THR A 77 -5.515 -4.068 7.748 1.00 0.00 N ATOM 772 CA THR A 77 -4.180 -4.736 7.657 1.00 0.00 C ATOM 773 C THR A 77 -3.101 -3.809 8.217 1.00 0.00 C ATOM 774 O THR A 77 -2.828 -2.756 7.675 1.00 0.00 O ATOM 775 CB THR A 77 -3.885 -5.049 6.190 1.00 0.00 C ATOM 776 OG1 THR A 77 -4.858 -5.962 5.699 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.495 -5.668 6.068 1.00 0.00 C ATOM 0 H THR A 77 -5.565 -3.147 7.312 1.00 0.00 H new ATOM 0 HA THR A 77 -4.187 -5.659 8.236 1.00 0.00 H new ATOM 0 HB THR A 77 -3.921 -4.129 5.607 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.672 -6.163 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.286 -5.891 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.750 -4.967 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.454 -6.589 6.650 1.00 0.00 H new ATOM 785 N SER A 78 -2.479 -4.199 9.296 1.00 0.00 N ATOM 786 CA SER A 78 -1.408 -3.356 9.895 1.00 0.00 C ATOM 787 C SER A 78 -0.090 -3.648 9.185 1.00 0.00 C ATOM 788 O SER A 78 0.119 -4.732 8.680 1.00 0.00 O ATOM 789 CB SER A 78 -1.281 -3.690 11.380 1.00 0.00 C ATOM 790 OG SER A 78 -2.350 -3.079 12.088 1.00 0.00 O ATOM 0 H SER A 78 -2.669 -5.071 9.791 1.00 0.00 H new ATOM 0 HA SER A 78 -1.654 -2.300 9.782 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.303 -4.770 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.325 -3.336 11.764 1.00 0.00 H new ATOM 0 HG SER A 78 -2.682 -3.694 12.775 1.00 0.00 H new ATOM 796 N ALA A 79 0.801 -2.691 9.130 1.00 0.00 N ATOM 797 CA ALA A 79 2.106 -2.915 8.437 1.00 0.00 C ATOM 798 C ALA A 79 3.216 -3.154 9.459 1.00 0.00 C ATOM 799 O ALA A 79 3.091 -2.827 10.624 1.00 0.00 O ATOM 800 CB ALA A 79 2.450 -1.673 7.620 1.00 0.00 C ATOM 0 H ALA A 79 0.681 -1.763 9.536 1.00 0.00 H new ATOM 0 HA ALA A 79 2.021 -3.789 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.401 -1.825 7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.667 -1.494 6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.528 -0.811 8.283 1.00 0.00 H new ATOM 806 N GLY A 80 4.312 -3.708 9.019 1.00 0.00 N ATOM 807 CA GLY A 80 5.453 -3.960 9.941 1.00 0.00 C ATOM 808 C GLY A 80 5.290 -5.310 10.636 1.00 0.00 C ATOM 809 O GLY A 80 5.028 -6.315 10.005 1.00 0.00 O ATOM 0 H GLY A 80 4.466 -3.999 8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.390 -3.942 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.509 -3.166 10.685 1.00 0.00 H new ATOM 813 N ARG A 81 5.463 -5.343 11.932 1.00 0.00 N ATOM 814 CA ARG A 81 5.343 -6.629 12.681 1.00 0.00 C ATOM 815 C ARG A 81 4.003 -6.693 13.408 1.00 0.00 C ATOM 816 O ARG A 81 3.615 -5.774 14.099 1.00 0.00 O ATOM 817 CB ARG A 81 6.478 -6.707 13.700 1.00 0.00 C ATOM 818 CG ARG A 81 7.809 -6.877 12.962 1.00 0.00 C ATOM 819 CD ARG A 81 8.956 -6.950 13.973 1.00 0.00 C ATOM 820 NE ARG A 81 10.247 -7.100 13.241 1.00 0.00 N ATOM 821 CZ ARG A 81 11.320 -7.491 13.874 1.00 0.00 C ATOM 822 NH1 ARG A 81 11.265 -7.760 15.148 1.00 0.00 N ATOM 823 NH2 ARG A 81 12.448 -7.615 13.230 1.00 0.00 N ATOM 0 H ARG A 81 5.683 -4.530 12.507 1.00 0.00 H new ATOM 0 HA ARG A 81 5.402 -7.464 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.499 -5.803 14.308 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.316 -7.544 14.379 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.787 -7.783 12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.966 -6.042 12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.974 -6.049 14.586 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.808 -7.792 14.649 1.00 0.00 H new ATOM 0 HE ARG A 81 10.292 -6.896 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.383 -7.665 15.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.104 -8.065 15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.491 -7.406 12.232 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.286 -7.920 13.724 1.00 0.00 H new ATOM 837 N HIS A 82 3.305 -7.785 13.264 1.00 0.00 N ATOM 838 CA HIS A 82 1.990 -7.945 13.944 1.00 0.00 C ATOM 839 C HIS A 82 1.515 -9.387 13.722 1.00 0.00 C ATOM 840 O HIS A 82 1.879 -10.014 12.746 1.00 0.00 O ATOM 841 CB HIS A 82 0.966 -6.961 13.338 1.00 0.00 C ATOM 842 CG HIS A 82 1.026 -5.644 14.060 1.00 0.00 C ATOM 843 ND1 HIS A 82 0.694 -5.522 15.399 1.00 0.00 N ATOM 844 CD2 HIS A 82 1.392 -4.388 13.648 1.00 0.00 C ATOM 845 CE1 HIS A 82 0.867 -4.233 15.744 1.00 0.00 C ATOM 846 NE2 HIS A 82 1.291 -3.498 14.714 1.00 0.00 N ATOM 0 H HIS A 82 3.594 -8.582 12.697 1.00 0.00 H new ATOM 0 HA HIS A 82 2.086 -7.736 15.009 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.175 -6.814 12.278 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.038 -7.379 13.410 1.00 0.00 H new ATOM 0 HD1 HIS A 82 0.376 -6.273 16.012 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.710 -4.129 12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.685 -3.841 16.734 1.00 0.00 H new ATOM 854 N PRO A 83 0.703 -9.911 14.604 1.00 0.00 N ATOM 855 CA PRO A 83 0.172 -11.299 14.474 1.00 0.00 C ATOM 856 C PRO A 83 -0.886 -11.389 13.370 1.00 0.00 C ATOM 857 O PRO A 83 -0.790 -12.193 12.464 1.00 0.00 O ATOM 858 CB PRO A 83 -0.454 -11.574 15.848 1.00 0.00 C ATOM 859 CG PRO A 83 -0.854 -10.225 16.352 1.00 0.00 C ATOM 860 CD PRO A 83 0.196 -9.248 15.818 1.00 0.00 C ATOM 0 HA PRO A 83 0.944 -12.019 14.202 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.314 -12.239 15.767 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.258 -12.054 16.520 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.851 -9.957 16.001 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.884 -10.208 17.441 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.241 -8.275 15.591 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.991 -9.079 16.544 1.00 0.00 H new ATOM 868 N ASP A 84 -1.897 -10.563 13.445 1.00 0.00 N ATOM 869 CA ASP A 84 -2.970 -10.587 12.413 1.00 0.00 C ATOM 870 C ASP A 84 -2.699 -9.510 11.357 1.00 0.00 C ATOM 871 O ASP A 84 -3.168 -8.394 11.458 1.00 0.00 O ATOM 872 CB ASP A 84 -4.320 -10.334 13.095 1.00 0.00 C ATOM 873 CG ASP A 84 -4.314 -8.968 13.784 1.00 0.00 C ATOM 874 OD1 ASP A 84 -3.265 -8.348 13.827 1.00 0.00 O ATOM 875 OD2 ASP A 84 -5.362 -8.567 14.267 1.00 0.00 O ATOM 0 H ASP A 84 -2.024 -9.870 14.182 1.00 0.00 H new ATOM 0 HA ASP A 84 -2.989 -11.559 11.920 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.122 -10.374 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.519 -11.118 13.826 1.00 0.00 H new ATOM 880 N SER A 85 -1.956 -9.841 10.332 1.00 0.00 N ATOM 881 CA SER A 85 -1.669 -8.844 9.262 1.00 0.00 C ATOM 882 C SER A 85 -1.084 -9.563 8.040 1.00 0.00 C ATOM 883 O SER A 85 -0.122 -10.297 8.144 1.00 0.00 O ATOM 884 CB SER A 85 -0.668 -7.800 9.774 1.00 0.00 C ATOM 885 OG SER A 85 0.589 -8.421 10.009 1.00 0.00 O ATOM 0 H SER A 85 -1.536 -10.760 10.191 1.00 0.00 H new ATOM 0 HA SER A 85 -2.594 -8.341 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.558 -6.998 9.044 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.038 -7.346 10.693 1.00 0.00 H new ATOM 0 HG SER A 85 0.640 -9.258 9.502 1.00 0.00 H new ATOM 891 N ASP A 86 -1.660 -9.358 6.887 1.00 0.00 N ATOM 892 CA ASP A 86 -1.141 -10.024 5.657 1.00 0.00 C ATOM 893 C ASP A 86 0.273 -9.525 5.360 1.00 0.00 C ATOM 894 O ASP A 86 1.138 -10.276 4.956 1.00 0.00 O ATOM 895 CB ASP A 86 -2.052 -9.673 4.481 1.00 0.00 C ATOM 896 CG ASP A 86 -1.718 -10.560 3.280 1.00 0.00 C ATOM 897 OD1 ASP A 86 -1.926 -11.758 3.376 1.00 0.00 O ATOM 898 OD2 ASP A 86 -1.264 -10.024 2.283 1.00 0.00 O ATOM 0 H ASP A 86 -2.471 -8.756 6.743 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.121 -11.103 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.096 -9.809 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.928 -8.623 4.214 1.00 0.00 H new ATOM 903 N ILE A 87 0.514 -8.255 5.543 1.00 0.00 N ATOM 904 CA ILE A 87 1.868 -7.703 5.258 1.00 0.00 C ATOM 905 C ILE A 87 2.748 -7.835 6.502 1.00 0.00 C ATOM 906 O ILE A 87 2.380 -7.411 7.580 1.00 0.00 O ATOM 907 CB ILE A 87 1.740 -6.228 4.870 1.00 0.00 C ATOM 908 CG1 ILE A 87 0.958 -6.123 3.557 1.00 0.00 C ATOM 909 CG2 ILE A 87 3.136 -5.620 4.689 1.00 0.00 C ATOM 910 CD1 ILE A 87 0.592 -4.660 3.290 1.00 0.00 C ATOM 0 H ILE A 87 -0.169 -7.576 5.878 1.00 0.00 H new ATOM 0 HA ILE A 87 2.324 -8.257 4.437 1.00 0.00 H new ATOM 0 HB ILE A 87 1.214 -5.685 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.556 -6.514 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.054 -6.730 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.042 -4.570 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.692 -5.701 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.667 -6.156 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.036 -4.589 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.023 -4.284 4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.502 -4.065 3.217 1.00 0.00 H new ATOM 922 N PHE A 88 3.912 -8.420 6.357 1.00 0.00 N ATOM 923 CA PHE A 88 4.840 -8.589 7.518 1.00 0.00 C ATOM 924 C PHE A 88 6.220 -8.069 7.122 1.00 0.00 C ATOM 925 O PHE A 88 7.069 -8.816 6.682 1.00 0.00 O ATOM 926 CB PHE A 88 4.937 -10.075 7.870 1.00 0.00 C ATOM 927 CG PHE A 88 5.932 -10.272 8.991 1.00 0.00 C ATOM 928 CD1 PHE A 88 5.614 -9.857 10.289 1.00 0.00 C ATOM 929 CD2 PHE A 88 7.173 -10.873 8.734 1.00 0.00 C ATOM 930 CE1 PHE A 88 6.532 -10.043 11.330 1.00 0.00 C ATOM 931 CE2 PHE A 88 8.090 -11.058 9.775 1.00 0.00 C ATOM 932 CZ PHE A 88 7.770 -10.643 11.073 1.00 0.00 C ATOM 0 H PHE A 88 4.262 -8.791 5.474 1.00 0.00 H new ATOM 0 HA PHE A 88 4.469 -8.035 8.380 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.959 -10.452 8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.244 -10.646 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.659 -9.393 10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.421 -11.193 7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.285 -9.723 12.331 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.045 -11.521 9.577 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.478 -10.786 11.876 1.00 0.00 H new ATOM 942 N LEU A 89 6.450 -6.788 7.270 1.00 0.00 N ATOM 943 CA LEU A 89 7.775 -6.210 6.898 1.00 0.00 C ATOM 944 C LEU A 89 8.591 -5.995 8.167 1.00 0.00 C ATOM 945 O LEU A 89 8.476 -4.986 8.834 1.00 0.00 O ATOM 946 CB LEU A 89 7.551 -4.880 6.171 1.00 0.00 C ATOM 947 CG LEU A 89 6.803 -5.139 4.853 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.391 -3.803 4.227 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.697 -5.914 3.864 1.00 0.00 C ATOM 0 H LEU A 89 5.774 -6.117 7.634 1.00 0.00 H new ATOM 0 HA LEU A 89 8.317 -6.886 6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.976 -4.201 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.507 -4.397 5.971 1.00 0.00 H new ATOM 0 HG LEU A 89 5.917 -5.737 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.861 -3.987 3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.738 -3.265 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.280 -3.205 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.149 -6.087 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.594 -5.332 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.980 -6.871 4.303 1.00 0.00 H new ATOM 961 N ASP A 90 9.415 -6.949 8.507 1.00 0.00 N ATOM 962 CA ASP A 90 10.245 -6.820 9.733 1.00 0.00 C ATOM 963 C ASP A 90 11.551 -6.114 9.368 1.00 0.00 C ATOM 964 O ASP A 90 12.551 -6.739 9.086 1.00 0.00 O ATOM 965 CB ASP A 90 10.524 -8.217 10.304 1.00 0.00 C ATOM 966 CG ASP A 90 11.233 -9.083 9.259 1.00 0.00 C ATOM 967 OD1 ASP A 90 11.396 -8.619 8.142 1.00 0.00 O ATOM 968 OD2 ASP A 90 11.593 -10.202 9.593 1.00 0.00 O ATOM 0 H ASP A 90 9.548 -7.815 7.984 1.00 0.00 H new ATOM 0 HA ASP A 90 9.723 -6.235 10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.141 -8.136 11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.588 -8.689 10.604 1.00 0.00 H new ATOM 973 N ASP A 91 11.542 -4.805 9.364 1.00 0.00 N ATOM 974 CA ASP A 91 12.776 -4.050 9.010 1.00 0.00 C ATOM 975 C ASP A 91 12.727 -2.658 9.643 1.00 0.00 C ATOM 976 O ASP A 91 11.721 -2.239 10.176 1.00 0.00 O ATOM 977 CB ASP A 91 12.884 -3.915 7.489 1.00 0.00 C ATOM 978 CG ASP A 91 11.576 -3.355 6.933 1.00 0.00 C ATOM 979 OD1 ASP A 91 10.530 -3.851 7.319 1.00 0.00 O ATOM 980 OD2 ASP A 91 11.640 -2.439 6.129 1.00 0.00 O ATOM 0 H ASP A 91 10.732 -4.229 9.591 1.00 0.00 H new ATOM 0 HA ASP A 91 13.645 -4.590 9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.713 -3.257 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.096 -4.886 7.041 1.00 0.00 H new ATOM 985 N VAL A 92 13.818 -1.949 9.592 1.00 0.00 N ATOM 986 CA VAL A 92 13.871 -0.585 10.196 1.00 0.00 C ATOM 987 C VAL A 92 13.058 0.406 9.356 1.00 0.00 C ATOM 988 O VAL A 92 12.606 0.098 8.275 1.00 0.00 O ATOM 989 CB VAL A 92 15.330 -0.123 10.251 1.00 0.00 C ATOM 990 CG1 VAL A 92 15.481 1.077 11.197 1.00 0.00 C ATOM 991 CG2 VAL A 92 16.206 -1.273 10.749 1.00 0.00 C ATOM 0 H VAL A 92 14.686 -2.257 9.154 1.00 0.00 H new ATOM 0 HA VAL A 92 13.448 -0.623 11.200 1.00 0.00 H new ATOM 0 HB VAL A 92 15.641 0.178 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.525 1.391 11.223 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.863 1.901 10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.163 0.792 12.200 1.00 0.00 H new ATOM 0 HG21 VAL A 92 17.245 -0.947 10.789 1.00 0.00 H new ATOM 0 HG22 VAL A 92 15.881 -1.573 11.745 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.117 -2.119 10.068 1.00 0.00 H new ATOM 1001 N THR A 93 12.884 1.602 9.858 1.00 0.00 N ATOM 1002 CA THR A 93 12.115 2.646 9.119 1.00 0.00 C ATOM 1003 C THR A 93 10.652 2.226 9.013 1.00 0.00 C ATOM 1004 O THR A 93 9.812 2.979 8.560 1.00 0.00 O ATOM 1005 CB THR A 93 12.708 2.855 7.715 1.00 0.00 C ATOM 1006 OG1 THR A 93 12.185 1.878 6.826 1.00 0.00 O ATOM 1007 CG2 THR A 93 14.241 2.741 7.763 1.00 0.00 C ATOM 0 H THR A 93 13.248 1.903 10.762 1.00 0.00 H new ATOM 0 HA THR A 93 12.180 3.587 9.665 1.00 0.00 H new ATOM 0 HB THR A 93 12.438 3.850 7.362 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.568 1.002 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.648 2.891 6.763 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.641 3.500 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.521 1.752 8.124 1.00 0.00 H new ATOM 1015 N VAL A 94 10.339 1.033 9.447 1.00 0.00 N ATOM 1016 CA VAL A 94 8.927 0.547 9.402 1.00 0.00 C ATOM 1017 C VAL A 94 8.387 0.480 10.833 1.00 0.00 C ATOM 1018 O VAL A 94 7.196 0.464 11.061 1.00 0.00 O ATOM 1019 CB VAL A 94 8.899 -0.846 8.778 1.00 0.00 C ATOM 1020 CG1 VAL A 94 7.473 -1.397 8.822 1.00 0.00 C ATOM 1021 CG2 VAL A 94 9.369 -0.759 7.323 1.00 0.00 C ATOM 0 H VAL A 94 11.008 0.368 9.835 1.00 0.00 H new ATOM 0 HA VAL A 94 8.312 1.222 8.807 1.00 0.00 H new ATOM 0 HB VAL A 94 9.560 -1.509 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.453 -2.392 8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.138 -1.457 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.810 -0.736 8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.350 -1.752 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.707 -0.097 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.385 -0.366 7.292 1.00 0.00 H new ATOM 1031 N SER A 95 9.266 0.454 11.799 1.00 0.00 N ATOM 1032 CA SER A 95 8.832 0.401 13.228 1.00 0.00 C ATOM 1033 C SER A 95 7.702 -0.622 13.418 1.00 0.00 C ATOM 1034 O SER A 95 7.344 -1.356 12.518 1.00 0.00 O ATOM 1035 CB SER A 95 8.342 1.784 13.666 1.00 0.00 C ATOM 1036 OG SER A 95 9.157 2.779 13.066 1.00 0.00 O ATOM 0 H SER A 95 10.276 0.467 11.659 1.00 0.00 H new ATOM 0 HA SER A 95 9.684 0.097 13.836 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.301 1.924 13.373 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.382 1.870 14.752 1.00 0.00 H new ATOM 0 HG SER A 95 8.846 3.667 13.342 1.00 0.00 H new ATOM 1042 N ARG A 96 7.149 -0.678 14.599 1.00 0.00 N ATOM 1043 CA ARG A 96 6.051 -1.646 14.876 1.00 0.00 C ATOM 1044 C ARG A 96 4.782 -1.224 14.129 1.00 0.00 C ATOM 1045 O ARG A 96 4.099 -2.037 13.538 1.00 0.00 O ATOM 1046 CB ARG A 96 5.776 -1.661 16.382 1.00 0.00 C ATOM 1047 CG ARG A 96 4.887 -2.854 16.737 1.00 0.00 C ATOM 1048 CD ARG A 96 4.597 -2.850 18.242 1.00 0.00 C ATOM 1049 NE ARG A 96 3.906 -4.119 18.607 1.00 0.00 N ATOM 1050 CZ ARG A 96 3.341 -4.253 19.778 1.00 0.00 C ATOM 1051 NH1 ARG A 96 3.364 -3.272 20.635 1.00 0.00 N ATOM 1052 NH2 ARG A 96 2.749 -5.376 20.086 1.00 0.00 N ATOM 0 H ARG A 96 7.413 -0.090 15.389 1.00 0.00 H new ATOM 0 HA ARG A 96 6.345 -2.640 14.539 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.716 -1.720 16.931 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.290 -0.732 16.681 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.953 -2.804 16.177 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.379 -3.784 16.454 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.526 -2.752 18.804 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.975 -1.994 18.503 1.00 0.00 H new ATOM 0 HE ARG A 96 3.874 -4.888 17.938 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.824 -2.394 20.393 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.922 -3.382 21.548 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.729 -6.143 19.414 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.307 -5.486 20.998 1.00 0.00 H new ATOM 1066 N ARG A 97 4.461 0.046 14.155 1.00 0.00 N ATOM 1067 CA ARG A 97 3.234 0.535 13.455 1.00 0.00 C ATOM 1068 C ARG A 97 3.527 1.881 12.798 1.00 0.00 C ATOM 1069 O ARG A 97 3.335 2.927 13.384 1.00 0.00 O ATOM 1070 CB ARG A 97 2.097 0.687 14.471 1.00 0.00 C ATOM 1071 CG ARG A 97 1.613 -0.702 14.897 1.00 0.00 C ATOM 1072 CD ARG A 97 0.560 -0.572 15.999 1.00 0.00 C ATOM 1073 NE ARG A 97 -0.640 0.132 15.465 1.00 0.00 N ATOM 1074 CZ ARG A 97 -1.597 -0.540 14.878 1.00 0.00 C ATOM 1075 NH1 ARG A 97 -1.509 -1.836 14.747 1.00 0.00 N ATOM 1076 NH2 ARG A 97 -2.644 0.091 14.420 1.00 0.00 N ATOM 0 H ARG A 97 4.999 0.768 14.634 1.00 0.00 H new ATOM 0 HA ARG A 97 2.938 -0.181 12.688 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.442 1.247 15.340 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.275 1.253 14.033 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.192 -1.228 14.040 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.454 -1.296 15.254 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.281 -1.559 16.367 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.971 -0.021 16.845 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.716 1.145 15.558 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.691 -2.330 15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.258 -2.354 14.288 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.714 1.104 14.520 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.393 -0.429 13.962 1.00 0.00 H new ATOM 1090 N HIS A 98 3.996 1.854 11.579 1.00 0.00 N ATOM 1091 CA HIS A 98 4.310 3.118 10.855 1.00 0.00 C ATOM 1092 C HIS A 98 3.157 3.452 9.910 1.00 0.00 C ATOM 1093 O HIS A 98 2.879 4.601 9.636 1.00 0.00 O ATOM 1094 CB HIS A 98 5.596 2.925 10.050 1.00 0.00 C ATOM 1095 CG HIS A 98 5.940 4.200 9.332 1.00 0.00 C ATOM 1096 ND1 HIS A 98 6.459 5.303 9.991 1.00 0.00 N ATOM 1097 CD2 HIS A 98 5.856 4.559 8.010 1.00 0.00 C ATOM 1098 CE1 HIS A 98 6.665 6.264 9.074 1.00 0.00 C ATOM 1099 NE2 HIS A 98 6.313 5.864 7.849 1.00 0.00 N ATOM 0 H HIS A 98 4.176 1.001 11.050 1.00 0.00 H new ATOM 0 HA HIS A 98 4.444 3.933 11.566 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.412 2.638 10.713 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.469 2.115 9.332 1.00 0.00 H new ATOM 0 HD1 HIS A 98 6.650 5.373 10.991 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.491 3.925 7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.066 7.241 9.300 1.00 0.00 H new ATOM 1107 N ALA A 99 2.478 2.452 9.407 1.00 0.00 N ATOM 1108 CA ALA A 99 1.340 2.718 8.478 1.00 0.00 C ATOM 1109 C ALA A 99 0.293 1.612 8.609 1.00 0.00 C ATOM 1110 O ALA A 99 0.604 0.481 8.936 1.00 0.00 O ATOM 1111 CB ALA A 99 1.855 2.758 7.037 1.00 0.00 C ATOM 0 H ALA A 99 2.662 1.467 9.599 1.00 0.00 H new ATOM 0 HA ALA A 99 0.887 3.676 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.024 2.952 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.597 3.550 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.311 1.800 6.787 1.00 0.00 H new ATOM 1117 N GLU A 100 -0.948 1.931 8.351 1.00 0.00 N ATOM 1118 CA GLU A 100 -2.032 0.907 8.448 1.00 0.00 C ATOM 1119 C GLU A 100 -3.029 1.110 7.308 1.00 0.00 C ATOM 1120 O GLU A 100 -3.231 2.214 6.838 1.00 0.00 O ATOM 1121 CB GLU A 100 -2.753 1.059 9.790 1.00 0.00 C ATOM 1122 CG GLU A 100 -3.893 0.042 9.884 1.00 0.00 C ATOM 1123 CD GLU A 100 -4.536 0.116 11.268 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -4.242 1.056 11.987 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -5.311 -0.771 11.586 1.00 0.00 O ATOM 0 H GLU A 100 -1.260 2.862 8.076 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.599 -0.091 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.051 0.908 10.610 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.147 2.071 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.638 0.245 9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.513 -0.963 9.702 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.655 0.049 6.868 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.653 0.149 5.761 1.00 0.00 C ATOM 1134 C PHE A 101 -6.051 -0.107 6.321 1.00 0.00 C ATOM 1135 O PHE A 101 -6.229 -0.902 7.224 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.335 -0.907 4.707 1.00 0.00 C ATOM 1137 CG PHE A 101 -3.012 -0.582 4.059 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -2.937 0.441 3.109 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -1.864 -1.302 4.407 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.711 0.747 2.504 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.637 -0.997 3.803 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.562 0.027 2.851 1.00 0.00 C ATOM 0 H PHE A 101 -3.515 -0.893 7.233 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.612 1.142 5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.295 -1.895 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.124 -0.936 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.824 0.995 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.924 -2.092 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.653 1.538 1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.250 -1.551 4.072 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.383 0.261 2.384 1.00 0.00 H new ATOM 1152 N ARG A 102 -7.043 0.557 5.786 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.444 0.364 6.271 1.00 0.00 C ATOM 1154 C ARG A 102 -9.371 0.183 5.070 1.00 0.00 C ATOM 1155 O ARG A 102 -9.269 0.883 4.084 1.00 0.00 O ATOM 1156 CB ARG A 102 -8.874 1.592 7.075 1.00 0.00 C ATOM 1157 CG ARG A 102 -10.296 1.387 7.605 1.00 0.00 C ATOM 1158 CD ARG A 102 -10.688 2.572 8.489 1.00 0.00 C ATOM 1159 NE ARG A 102 -9.874 2.548 9.736 1.00 0.00 N ATOM 1160 CZ ARG A 102 -9.818 3.602 10.507 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -10.469 4.684 10.183 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -9.111 3.569 11.603 1.00 0.00 N ATOM 0 H ARG A 102 -6.942 1.231 5.027 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.497 -0.520 6.906 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.186 1.755 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.834 2.482 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.995 1.293 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.353 0.460 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.527 3.508 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.749 2.523 8.733 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.358 1.705 9.989 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -11.023 4.709 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.424 5.506 10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.603 2.722 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.066 4.391 12.206 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.272 -0.761 5.143 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.208 -1.003 4.004 1.00 0.00 C ATOM 1178 C LEU A 103 -12.532 -0.284 4.262 1.00 0.00 C ATOM 1179 O LEU A 103 -13.165 -0.482 5.282 1.00 0.00 O ATOM 1180 CB LEU A 103 -11.446 -2.511 3.879 1.00 0.00 C ATOM 1181 CG LEU A 103 -12.435 -2.815 2.744 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -11.904 -2.264 1.410 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -12.619 -4.334 2.640 1.00 0.00 C ATOM 0 H LEU A 103 -10.401 -1.378 5.945 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.778 -0.620 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.500 -3.018 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.834 -2.902 4.820 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.391 -2.338 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.616 -2.487 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.774 -1.185 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.945 -2.729 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.320 -4.561 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.658 -4.803 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.010 -4.719 3.582 1.00 0.00 H new ATOM 1195 N GLU A 104 -12.955 0.554 3.343 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.242 1.299 3.522 1.00 0.00 C ATOM 1197 C GLU A 104 -15.309 0.717 2.581 1.00 0.00 C ATOM 1198 O GLU A 104 -15.789 -0.382 2.777 1.00 0.00 O ATOM 1199 CB GLU A 104 -14.019 2.780 3.192 1.00 0.00 C ATOM 1200 CG GLU A 104 -15.273 3.583 3.559 1.00 0.00 C ATOM 1201 CD GLU A 104 -15.062 5.057 3.214 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -14.114 5.352 2.506 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -15.860 5.866 3.658 1.00 0.00 O ATOM 0 H GLU A 104 -12.461 0.754 2.473 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.580 1.201 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.158 3.160 3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.797 2.897 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -16.136 3.194 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -15.487 3.476 4.622 1.00 0.00 H new ATOM 1210 N ASN A 105 -15.696 1.451 1.568 1.00 0.00 N ATOM 1211 CA ASN A 105 -16.736 0.959 0.622 1.00 0.00 C ATOM 1212 C ASN A 105 -16.061 0.240 -0.544 1.00 0.00 C ATOM 1213 O ASN A 105 -15.898 0.792 -1.613 1.00 0.00 O ATOM 1214 CB ASN A 105 -17.535 2.159 0.113 1.00 0.00 C ATOM 1215 CG ASN A 105 -18.357 2.741 1.267 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -19.033 2.017 1.969 1.00 0.00 O ATOM 1217 ND2 ASN A 105 -18.322 4.026 1.502 1.00 0.00 N ATOM 0 H ASN A 105 -15.330 2.379 1.357 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.406 0.260 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.861 2.916 -0.288 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.193 1.855 -0.701 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.862 4.418 2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.755 4.637 0.914 1.00 0.00 H new ATOM 1224 N ASN A 106 -15.661 -0.986 -0.340 1.00 0.00 N ATOM 1225 CA ASN A 106 -14.989 -1.755 -1.426 1.00 0.00 C ATOM 1226 C ASN A 106 -13.770 -0.976 -1.926 1.00 0.00 C ATOM 1227 O ASN A 106 -13.424 -1.014 -3.091 1.00 0.00 O ATOM 1228 CB ASN A 106 -15.978 -2.005 -2.573 1.00 0.00 C ATOM 1229 CG ASN A 106 -17.049 -3.004 -2.117 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -16.771 -3.884 -1.189 1.00 0.00 O flip ATOM 1231 ND2 ASN A 106 -18.158 -2.986 -2.612 1.00 0.00 N flip ATOM 0 H ASN A 106 -15.772 -1.491 0.539 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.655 -2.718 -1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.445 -1.068 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.450 -2.394 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.382 -2.303 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.865 -3.654 -2.304 1.00 0.00 H new ATOM 1238 N GLU A 107 -13.103 -0.280 -1.043 1.00 0.00 N ATOM 1239 CA GLU A 107 -11.891 0.493 -1.445 1.00 0.00 C ATOM 1240 C GLU A 107 -10.941 0.594 -0.245 1.00 0.00 C ATOM 1241 O GLU A 107 -11.346 0.921 0.852 1.00 0.00 O ATOM 1242 CB GLU A 107 -12.308 1.892 -1.908 1.00 0.00 C ATOM 1243 CG GLU A 107 -13.192 2.546 -0.847 1.00 0.00 C ATOM 1244 CD GLU A 107 -13.729 3.874 -1.382 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -14.144 3.901 -2.530 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -13.716 4.840 -0.639 1.00 0.00 O ATOM 0 H GLU A 107 -13.347 -0.214 -0.055 1.00 0.00 H new ATOM 0 HA GLU A 107 -11.382 -0.012 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.424 2.505 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.847 1.827 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -14.019 1.884 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -12.620 2.713 0.066 1.00 0.00 H new ATOM 1253 N PHE A 108 -9.682 0.301 -0.442 1.00 0.00 N ATOM 1254 CA PHE A 108 -8.710 0.366 0.690 1.00 0.00 C ATOM 1255 C PHE A 108 -8.210 1.798 0.880 1.00 0.00 C ATOM 1256 O PHE A 108 -8.134 2.565 -0.059 1.00 0.00 O ATOM 1257 CB PHE A 108 -7.524 -0.549 0.390 1.00 0.00 C ATOM 1258 CG PHE A 108 -7.948 -1.988 0.545 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -8.027 -2.558 1.821 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -8.257 -2.753 -0.584 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -8.417 -3.894 1.968 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -8.648 -4.088 -0.438 1.00 0.00 C ATOM 1263 CZ PHE A 108 -8.726 -4.660 0.838 1.00 0.00 C ATOM 0 H PHE A 108 -9.285 0.019 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.208 0.042 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.162 -0.372 -0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.699 -0.327 1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.787 -1.967 2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -8.194 -2.313 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.479 -4.334 2.953 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.890 -4.678 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.024 -5.692 0.950 1.00 0.00 H new ATOM 1273 N ASN A 109 -7.866 2.160 2.094 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.362 3.541 2.374 1.00 0.00 C ATOM 1275 C ASN A 109 -5.973 3.447 3.001 1.00 0.00 C ATOM 1276 O ASN A 109 -5.608 2.433 3.562 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.309 4.230 3.353 1.00 0.00 C ATOM 1278 CG ASN A 109 -9.624 4.540 2.642 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -9.686 4.548 1.432 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -10.689 4.793 3.348 1.00 0.00 N ATOM 0 H ASN A 109 -7.914 1.550 2.910 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.311 4.112 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -8.490 3.589 4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.859 5.149 3.728 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.573 4.997 2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -10.639 4.787 4.367 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.195 4.500 2.909 1.00 0.00 N ATOM 1288 CA VAL A 110 -3.818 4.489 3.496 1.00 0.00 C ATOM 1289 C VAL A 110 -3.703 5.608 4.530 1.00 0.00 C ATOM 1290 O VAL A 110 -4.009 6.752 4.254 1.00 0.00 O ATOM 1291 CB VAL A 110 -2.795 4.707 2.376 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -2.898 6.140 1.838 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.384 4.468 2.921 1.00 0.00 C ATOM 0 H VAL A 110 -5.457 5.372 2.449 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.626 3.532 3.980 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.000 4.007 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.167 6.284 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.900 6.310 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.701 6.846 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.655 4.623 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.186 5.165 3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.305 3.446 3.291 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.267 5.279 5.721 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.125 6.308 6.799 1.00 0.00 C ATOM 1305 C VAL A 111 -1.739 6.193 7.437 1.00 0.00 C ATOM 1306 O VAL A 111 -1.251 5.110 7.696 1.00 0.00 O ATOM 1307 CB VAL A 111 -4.208 6.084 7.860 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -3.902 6.924 9.106 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -5.562 6.505 7.283 1.00 0.00 C ATOM 0 H VAL A 111 -3.001 4.333 5.995 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.239 7.304 6.372 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.232 5.031 8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.676 6.759 9.855 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.934 6.631 9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.877 7.980 8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.340 6.350 8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.528 7.559 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.783 5.906 6.399 1.00 0.00 H new ATOM 1319 N ASP A 112 -1.100 7.303 7.692 1.00 0.00 N ATOM 1320 CA ASP A 112 0.249 7.258 8.314 1.00 0.00 C ATOM 1321 C ASP A 112 0.101 7.151 9.838 1.00 0.00 C ATOM 1322 O ASP A 112 -0.065 8.131 10.537 1.00 0.00 O ATOM 1323 CB ASP A 112 1.013 8.533 7.937 1.00 0.00 C ATOM 1324 CG ASP A 112 0.253 9.766 8.434 1.00 0.00 C ATOM 1325 OD1 ASP A 112 -0.857 9.603 8.913 1.00 0.00 O ATOM 1326 OD2 ASP A 112 0.789 10.856 8.313 1.00 0.00 O ATOM 0 H ASP A 112 -1.456 8.238 7.495 1.00 0.00 H new ATOM 0 HA ASP A 112 0.803 6.391 7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 112 2.012 8.511 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.139 8.585 6.856 1.00 0.00 H new ATOM 1331 N VAL A 113 0.158 5.952 10.352 1.00 0.00 N ATOM 1332 CA VAL A 113 0.021 5.744 11.821 1.00 0.00 C ATOM 1333 C VAL A 113 1.224 6.365 12.538 1.00 0.00 C ATOM 1334 O VAL A 113 1.093 6.992 13.570 1.00 0.00 O ATOM 1335 CB VAL A 113 -0.016 4.237 12.101 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -0.070 3.984 13.608 1.00 0.00 C ATOM 1337 CG2 VAL A 113 -1.246 3.610 11.427 1.00 0.00 C ATOM 0 H VAL A 113 0.295 5.099 9.810 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.894 6.214 12.181 1.00 0.00 H new ATOM 0 HB VAL A 113 0.887 3.781 11.696 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -0.096 2.911 13.796 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.813 4.414 14.081 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.965 4.447 14.023 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.266 2.539 11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.152 4.071 11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.194 3.774 10.351 1.00 0.00 H new ATOM 1405 N THR A 119 6.019 8.962 5.335 1.00 0.00 N ATOM 1406 CA THR A 119 5.120 8.345 4.317 1.00 0.00 C ATOM 1407 C THR A 119 4.378 9.440 3.552 1.00 0.00 C ATOM 1408 O THR A 119 3.784 10.327 4.135 1.00 0.00 O ATOM 1409 CB THR A 119 4.108 7.432 5.013 1.00 0.00 C ATOM 1410 OG1 THR A 119 4.810 6.485 5.805 1.00 0.00 O ATOM 1411 CG2 THR A 119 3.276 6.698 3.961 1.00 0.00 C ATOM 0 HA THR A 119 5.717 7.759 3.618 1.00 0.00 H new ATOM 0 HB THR A 119 3.448 8.026 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.272 6.948 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 119 2.555 6.048 4.456 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.746 7.424 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.933 6.098 3.331 1.00 0.00 H new ATOM 1419 N TYR A 120 4.401 9.387 2.247 1.00 0.00 N ATOM 1420 CA TYR A 120 3.688 10.424 1.445 1.00 0.00 C ATOM 1421 C TYR A 120 3.140 9.786 0.171 1.00 0.00 C ATOM 1422 O TYR A 120 3.605 8.748 -0.258 1.00 0.00 O ATOM 1423 CB TYR A 120 4.659 11.544 1.076 1.00 0.00 C ATOM 1424 CG TYR A 120 5.827 10.980 0.299 1.00 0.00 C ATOM 1425 CD1 TYR A 120 5.721 10.788 -1.084 1.00 0.00 C ATOM 1426 CD2 TYR A 120 7.020 10.667 0.960 1.00 0.00 C ATOM 1427 CE1 TYR A 120 6.809 10.280 -1.805 1.00 0.00 C ATOM 1428 CE2 TYR A 120 8.109 10.161 0.239 1.00 0.00 C ATOM 1429 CZ TYR A 120 8.003 9.969 -1.144 1.00 0.00 C ATOM 1430 OH TYR A 120 9.079 9.475 -1.856 1.00 0.00 O ATOM 0 H TYR A 120 4.882 8.671 1.702 1.00 0.00 H new ATOM 0 HA TYR A 120 2.867 10.837 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.146 12.300 0.481 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.017 12.038 1.979 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.801 11.031 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 120 7.101 10.816 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.727 10.128 -2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 120 9.030 9.919 0.749 1.00 0.00 H new ATOM 0 HH TYR A 120 9.151 8.508 -1.711 1.00 0.00 H new ATOM 1440 N VAL A 121 2.152 10.400 -0.433 1.00 0.00 N ATOM 1441 CA VAL A 121 1.554 9.840 -1.686 1.00 0.00 C ATOM 1442 C VAL A 121 1.675 10.867 -2.812 1.00 0.00 C ATOM 1443 O VAL A 121 1.387 12.035 -2.634 1.00 0.00 O ATOM 1444 CB VAL A 121 0.080 9.508 -1.448 1.00 0.00 C ATOM 1445 CG1 VAL A 121 -0.700 10.786 -1.129 1.00 0.00 C ATOM 1446 CG2 VAL A 121 -0.495 8.858 -2.707 1.00 0.00 C ATOM 0 H VAL A 121 1.731 11.271 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 121 2.086 8.931 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.005 8.822 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.749 10.540 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.288 11.250 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.620 11.480 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.546 8.618 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.405 9.548 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.056 7.944 -2.928 1.00 0.00 H new ATOM 1456 N ASN A 122 2.104 10.432 -3.968 1.00 0.00 N ATOM 1457 CA ASN A 122 2.254 11.359 -5.127 1.00 0.00 C ATOM 1458 C ASN A 122 3.203 12.503 -4.763 1.00 0.00 C ATOM 1459 O ASN A 122 3.001 13.636 -5.147 1.00 0.00 O ATOM 1460 CB ASN A 122 0.883 11.911 -5.541 1.00 0.00 C ATOM 1461 CG ASN A 122 0.051 10.774 -6.136 1.00 0.00 C ATOM 1462 OD1 ASN A 122 0.586 9.761 -6.536 1.00 0.00 O ATOM 1463 ND2 ASN A 122 -1.246 10.897 -6.209 1.00 0.00 N ATOM 0 H ASN A 122 2.359 9.463 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 122 2.676 10.810 -5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 122 0.373 12.340 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 122 1.004 12.712 -6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.809 10.142 -6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -1.697 11.748 -5.873 1.00 0.00 H new ATOM 1470 N ARG A 123 4.244 12.205 -4.026 1.00 0.00 N ATOM 1471 CA ARG A 123 5.232 13.256 -3.630 1.00 0.00 C ATOM 1472 C ARG A 123 4.537 14.396 -2.889 1.00 0.00 C ATOM 1473 O ARG A 123 5.172 15.350 -2.487 1.00 0.00 O ATOM 1474 CB ARG A 123 5.932 13.821 -4.875 1.00 0.00 C ATOM 1475 CG ARG A 123 6.866 12.768 -5.468 1.00 0.00 C ATOM 1476 CD ARG A 123 7.513 13.329 -6.737 1.00 0.00 C ATOM 1477 NE ARG A 123 8.444 12.320 -7.315 1.00 0.00 N ATOM 1478 CZ ARG A 123 9.060 12.573 -8.438 1.00 0.00 C ATOM 1479 NH1 ARG A 123 8.848 13.702 -9.055 1.00 0.00 N ATOM 1480 NH2 ARG A 123 9.884 11.697 -8.944 1.00 0.00 N ATOM 0 H ARG A 123 4.454 11.269 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 123 5.969 12.796 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.190 14.121 -5.616 1.00 0.00 H new ATOM 0 HB3 ARG A 123 6.498 14.714 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.634 12.496 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.310 11.860 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.744 13.587 -7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.054 14.247 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 123 8.600 11.434 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.202 14.385 -8.660 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.328 13.902 -9.932 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.048 10.813 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.364 11.896 -9.821 1.00 0.00 H new ATOM 1494 N GLU A 124 3.243 14.314 -2.704 1.00 0.00 N ATOM 1495 CA GLU A 124 2.503 15.400 -1.986 1.00 0.00 C ATOM 1496 C GLU A 124 2.095 14.904 -0.589 1.00 0.00 C ATOM 1497 O GLU A 124 1.833 13.732 -0.405 1.00 0.00 O ATOM 1498 CB GLU A 124 1.253 15.785 -2.779 1.00 0.00 C ATOM 1499 CG GLU A 124 1.671 16.596 -4.006 1.00 0.00 C ATOM 1500 CD GLU A 124 0.430 17.071 -4.756 1.00 0.00 C ATOM 1501 OE1 GLU A 124 -0.628 17.101 -4.150 1.00 0.00 O ATOM 1502 OE2 GLU A 124 0.560 17.399 -5.923 1.00 0.00 O ATOM 0 H GLU A 124 2.663 13.537 -3.021 1.00 0.00 H new ATOM 0 HA GLU A 124 3.148 16.273 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.712 14.890 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.576 16.369 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 124 2.273 17.452 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.293 15.987 -4.662 1.00 0.00 H new ATOM 1509 N PRO A 125 2.043 15.779 0.394 1.00 0.00 N ATOM 1510 CA PRO A 125 1.667 15.393 1.784 1.00 0.00 C ATOM 1511 C PRO A 125 0.506 14.391 1.814 1.00 0.00 C ATOM 1512 O PRO A 125 -0.356 14.404 0.957 1.00 0.00 O ATOM 1513 CB PRO A 125 1.249 16.723 2.429 1.00 0.00 C ATOM 1514 CG PRO A 125 1.993 17.790 1.677 1.00 0.00 C ATOM 1515 CD PRO A 125 2.336 17.221 0.291 1.00 0.00 C ATOM 0 HA PRO A 125 2.486 14.896 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.172 16.872 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.503 16.741 3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 125 1.384 18.689 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 125 2.900 18.074 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 125 1.738 17.692 -0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.382 17.395 0.039 1.00 0.00 H new ATOM 1523 N VAL A 126 0.490 13.519 2.794 1.00 0.00 N ATOM 1524 CA VAL A 126 -0.598 12.501 2.892 1.00 0.00 C ATOM 1525 C VAL A 126 -1.269 12.597 4.258 1.00 0.00 C ATOM 1526 O VAL A 126 -0.623 12.690 5.283 1.00 0.00 O ATOM 1527 CB VAL A 126 0.006 11.103 2.717 1.00 0.00 C ATOM 1528 CG1 VAL A 126 0.945 10.790 3.883 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -1.114 10.065 2.673 1.00 0.00 C ATOM 0 H VAL A 126 1.190 13.471 3.534 1.00 0.00 H new ATOM 0 HA VAL A 126 -1.340 12.683 2.114 1.00 0.00 H new ATOM 0 HB VAL A 126 0.570 11.072 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.370 9.795 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 126 1.748 11.527 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.387 10.825 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -0.684 9.071 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.681 10.101 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.777 10.281 1.836 1.00 0.00 H new ATOM 1539 N ASP A 127 -2.567 12.562 4.276 1.00 0.00 N ATOM 1540 CA ASP A 127 -3.308 12.628 5.560 1.00 0.00 C ATOM 1541 C ASP A 127 -4.593 11.816 5.383 1.00 0.00 C ATOM 1542 O ASP A 127 -5.691 12.318 5.498 1.00 0.00 O ATOM 1543 CB ASP A 127 -3.619 14.093 5.902 1.00 0.00 C ATOM 1544 CG ASP A 127 -4.352 14.162 7.243 1.00 0.00 C ATOM 1545 OD1 ASP A 127 -4.711 13.114 7.751 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -4.543 15.262 7.734 1.00 0.00 O ATOM 0 H ASP A 127 -3.154 12.490 3.445 1.00 0.00 H new ATOM 0 HA ASP A 127 -2.720 12.218 6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -2.695 14.670 5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.232 14.538 5.118 1.00 0.00 H new ATOM 1551 N SER A 128 -4.433 10.551 5.082 1.00 0.00 N ATOM 1552 CA SER A 128 -5.600 9.646 4.864 1.00 0.00 C ATOM 1553 C SER A 128 -6.139 9.839 3.441 1.00 0.00 C ATOM 1554 O SER A 128 -6.923 10.727 3.174 1.00 0.00 O ATOM 1555 CB SER A 128 -6.700 9.930 5.897 1.00 0.00 C ATOM 1556 OG SER A 128 -7.607 10.903 5.393 1.00 0.00 O ATOM 0 H SER A 128 -3.524 10.101 4.977 1.00 0.00 H new ATOM 0 HA SER A 128 -5.278 8.612 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.235 9.010 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 128 -6.254 10.285 6.826 1.00 0.00 H new ATOM 0 HG SER A 128 -7.130 11.516 4.795 1.00 0.00 H new ATOM 1562 N ALA A 129 -5.712 9.003 2.521 1.00 0.00 N ATOM 1563 CA ALA A 129 -6.178 9.116 1.101 1.00 0.00 C ATOM 1564 C ALA A 129 -6.701 7.760 0.626 1.00 0.00 C ATOM 1565 O ALA A 129 -6.277 6.720 1.089 1.00 0.00 O ATOM 1566 CB ALA A 129 -5.016 9.550 0.210 1.00 0.00 C ATOM 0 H ALA A 129 -5.056 8.242 2.696 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.975 9.857 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.359 9.631 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -4.642 10.518 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -4.216 8.812 0.270 1.00 0.00 H new ATOM 1572 N VAL A 130 -7.628 7.769 -0.290 1.00 0.00 N ATOM 1573 CA VAL A 130 -8.195 6.490 -0.792 1.00 0.00 C ATOM 1574 C VAL A 130 -7.268 5.887 -1.848 1.00 0.00 C ATOM 1575 O VAL A 130 -6.830 6.555 -2.764 1.00 0.00 O ATOM 1576 CB VAL A 130 -9.566 6.759 -1.402 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -10.117 5.471 -2.012 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -10.513 7.253 -0.307 1.00 0.00 C ATOM 0 H VAL A 130 -8.018 8.611 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.292 5.785 0.034 1.00 0.00 H new ATOM 0 HB VAL A 130 -9.479 7.516 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.097 5.665 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.439 5.117 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -10.209 4.711 -1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -11.496 7.447 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.600 6.493 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -10.119 8.172 0.128 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.964 4.628 -1.719 1.00 0.00 N ATOM 1589 CA LEU A 131 -6.060 3.966 -2.698 1.00 0.00 C ATOM 1590 C LEU A 131 -6.813 3.661 -3.991 1.00 0.00 C ATOM 1591 O LEU A 131 -8.012 3.462 -3.994 1.00 0.00 O ATOM 1592 CB LEU A 131 -5.546 2.667 -2.089 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.656 2.984 -0.881 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -4.289 1.679 -0.173 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -3.375 3.723 -1.333 1.00 0.00 C ATOM 0 H LEU A 131 -7.306 4.024 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.226 4.629 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.384 2.041 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.982 2.103 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.200 3.632 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -3.656 1.897 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.198 1.179 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -3.751 1.029 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.755 3.941 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.818 3.094 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.648 4.656 -1.826 1.00 0.00 H new ATOM 1607 N ALA A 132 -6.118 3.624 -5.094 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.793 3.336 -6.389 1.00 0.00 C ATOM 1609 C ALA A 132 -5.802 2.688 -7.362 1.00 0.00 C ATOM 1610 O ALA A 132 -4.606 2.870 -7.266 1.00 0.00 O ATOM 1611 CB ALA A 132 -7.319 4.642 -6.983 1.00 0.00 C ATOM 0 H ALA A 132 -5.112 3.781 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.623 2.650 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.814 4.437 -7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.031 5.095 -6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.488 5.327 -7.149 1.00 0.00 H new ATOM 1617 N ASN A 133 -6.307 1.921 -8.286 1.00 0.00 N ATOM 1618 CA ASN A 133 -5.434 1.221 -9.271 1.00 0.00 C ATOM 1619 C ASN A 133 -4.423 2.185 -9.907 1.00 0.00 C ATOM 1620 O ASN A 133 -4.772 3.237 -10.408 1.00 0.00 O ATOM 1621 CB ASN A 133 -6.329 0.625 -10.356 1.00 0.00 C ATOM 1622 CG ASN A 133 -5.512 -0.305 -11.254 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -4.599 -0.961 -10.798 1.00 0.00 O ATOM 1624 ND2 ASN A 133 -5.810 -0.393 -12.523 1.00 0.00 N ATOM 0 H ASN A 133 -7.305 1.746 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 133 -4.869 0.442 -8.760 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -7.151 0.074 -9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -6.773 1.423 -10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -5.275 -1.013 -13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -6.578 0.159 -12.906 1.00 0.00 H new ATOM 1631 N GLY A 134 -3.167 1.810 -9.910 1.00 0.00 N ATOM 1632 CA GLY A 134 -2.114 2.671 -10.525 1.00 0.00 C ATOM 1633 C GLY A 134 -1.574 3.663 -9.496 1.00 0.00 C ATOM 1634 O GLY A 134 -0.912 4.621 -9.839 1.00 0.00 O ATOM 0 H GLY A 134 -2.826 0.937 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.302 2.050 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.527 3.210 -11.378 1.00 0.00 H new ATOM 1638 N ASP A 135 -1.836 3.449 -8.232 1.00 0.00 N ATOM 1639 CA ASP A 135 -1.315 4.401 -7.198 1.00 0.00 C ATOM 1640 C ASP A 135 0.054 3.933 -6.704 1.00 0.00 C ATOM 1641 O ASP A 135 0.350 2.754 -6.696 1.00 0.00 O ATOM 1642 CB ASP A 135 -2.292 4.481 -6.021 1.00 0.00 C ATOM 1643 CG ASP A 135 -3.509 5.322 -6.419 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -3.438 5.999 -7.431 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -4.491 5.279 -5.701 1.00 0.00 O ATOM 0 H ASP A 135 -2.382 2.666 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.215 5.390 -7.645 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.609 3.480 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.799 4.924 -5.156 1.00 0.00 H new ATOM 1650 N GLU A 136 0.892 4.852 -6.289 1.00 0.00 N ATOM 1651 CA GLU A 136 2.251 4.480 -5.788 1.00 0.00 C ATOM 1652 C GLU A 136 2.301 4.688 -4.278 1.00 0.00 C ATOM 1653 O GLU A 136 1.916 5.724 -3.774 1.00 0.00 O ATOM 1654 CB GLU A 136 3.292 5.384 -6.453 1.00 0.00 C ATOM 1655 CG GLU A 136 3.328 5.108 -7.955 1.00 0.00 C ATOM 1656 CD GLU A 136 3.802 3.673 -8.200 1.00 0.00 C ATOM 1657 OE1 GLU A 136 4.407 3.110 -7.302 1.00 0.00 O ATOM 1658 OE2 GLU A 136 3.548 3.160 -9.277 1.00 0.00 O ATOM 0 H GLU A 136 0.690 5.852 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 136 2.461 3.437 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 136 3.048 6.431 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 136 4.275 5.205 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 136 2.337 5.254 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 136 3.997 5.813 -8.449 1.00 0.00 H new ATOM 1665 N VAL A 137 2.773 3.704 -3.551 1.00 0.00 N ATOM 1666 CA VAL A 137 2.855 3.821 -2.063 1.00 0.00 C ATOM 1667 C VAL A 137 4.290 3.564 -1.617 1.00 0.00 C ATOM 1668 O VAL A 137 4.920 2.612 -2.034 1.00 0.00 O ATOM 1669 CB VAL A 137 1.922 2.787 -1.426 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.178 2.711 0.084 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.473 3.204 -1.679 1.00 0.00 C ATOM 0 H VAL A 137 3.107 2.818 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 137 2.554 4.821 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 137 2.109 1.807 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.510 1.973 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.213 2.419 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.993 3.686 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.200 2.474 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.294 4.184 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.290 3.252 -2.753 1.00 0.00 H new ATOM 1681 N GLN A 138 4.803 4.408 -0.760 1.00 0.00 N ATOM 1682 CA GLN A 138 6.196 4.238 -0.251 1.00 0.00 C ATOM 1683 C GLN A 138 6.146 4.105 1.270 1.00 0.00 C ATOM 1684 O GLN A 138 5.611 4.958 1.949 1.00 0.00 O ATOM 1685 CB GLN A 138 7.019 5.471 -0.626 1.00 0.00 C ATOM 1686 CG GLN A 138 8.436 5.328 -0.068 1.00 0.00 C ATOM 1687 CD GLN A 138 9.306 6.472 -0.583 1.00 0.00 C ATOM 1688 OE1 GLN A 138 8.954 7.137 -1.534 1.00 0.00 O ATOM 1689 NE2 GLN A 138 10.437 6.731 0.012 1.00 0.00 N ATOM 0 H GLN A 138 4.309 5.218 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 138 6.652 3.350 -0.688 1.00 0.00 H new ATOM 0 HB2 GLN A 138 7.053 5.583 -1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.549 6.370 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.412 5.338 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 138 8.861 4.370 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 138 10.732 6.171 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 138 11.026 7.493 -0.322 1.00 0.00 H new ATOM 1698 N ILE A 139 6.699 3.045 1.806 1.00 0.00 N ATOM 1699 CA ILE A 139 6.692 2.845 3.291 1.00 0.00 C ATOM 1700 C ILE A 139 8.127 2.752 3.814 1.00 0.00 C ATOM 1701 O ILE A 139 8.936 1.993 3.317 1.00 0.00 O ATOM 1702 CB ILE A 139 5.941 1.554 3.629 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.463 1.715 3.263 1.00 0.00 C ATOM 1704 CG2 ILE A 139 6.068 1.265 5.128 1.00 0.00 C ATOM 1705 CD1 ILE A 139 3.762 0.357 3.348 1.00 0.00 C ATOM 0 H ILE A 139 7.158 2.304 1.276 1.00 0.00 H new ATOM 0 HA ILE A 139 6.195 3.693 3.762 1.00 0.00 H new ATOM 0 HB ILE A 139 6.368 0.726 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 139 3.986 2.425 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.370 2.121 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 139 5.533 0.346 5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.120 1.151 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 139 5.641 2.092 5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.710 0.474 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.233 -0.340 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.843 -0.031 4.363 1.00 0.00 H new ATOM 1717 N GLY A 140 8.437 3.512 4.829 1.00 0.00 N ATOM 1718 CA GLY A 140 9.806 3.474 5.416 1.00 0.00 C ATOM 1719 C GLY A 140 10.857 3.627 4.317 1.00 0.00 C ATOM 1720 O GLY A 140 11.165 4.722 3.888 1.00 0.00 O ATOM 0 H GLY A 140 7.794 4.163 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 140 9.917 4.273 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 140 9.957 2.533 5.945 1.00 0.00 H new ATOM 1724 N LYS A 141 11.417 2.532 3.869 1.00 0.00 N ATOM 1725 CA LYS A 141 12.465 2.579 2.804 1.00 0.00 C ATOM 1726 C LYS A 141 12.064 1.632 1.673 1.00 0.00 C ATOM 1727 O LYS A 141 12.546 1.729 0.564 1.00 0.00 O ATOM 1728 CB LYS A 141 13.802 2.123 3.408 1.00 0.00 C ATOM 1729 CG LYS A 141 14.964 2.556 2.504 1.00 0.00 C ATOM 1730 CD LYS A 141 16.316 2.254 3.186 1.00 0.00 C ATOM 1731 CE LYS A 141 16.746 3.442 4.055 1.00 0.00 C ATOM 1732 NZ LYS A 141 17.114 4.586 3.174 1.00 0.00 N ATOM 0 H LYS A 141 11.189 1.595 4.201 1.00 0.00 H new ATOM 0 HA LYS A 141 12.564 3.592 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 141 13.926 2.552 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 141 13.806 1.039 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 141 14.906 2.033 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 141 14.888 3.622 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 141 16.230 1.357 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 141 17.076 2.052 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 141 15.936 3.730 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 141 17.593 3.162 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 17.818 5.182 3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 17.516 4.225 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 16.266 5.151 2.966 1.00 0.00 H new ATOM 1746 N PHE A 142 11.187 0.710 1.954 1.00 0.00 N ATOM 1747 CA PHE A 142 10.760 -0.252 0.905 1.00 0.00 C ATOM 1748 C PHE A 142 9.818 0.438 -0.080 1.00 0.00 C ATOM 1749 O PHE A 142 9.006 1.261 0.293 1.00 0.00 O ATOM 1750 CB PHE A 142 10.034 -1.433 1.562 1.00 0.00 C ATOM 1751 CG PHE A 142 11.045 -2.379 2.171 1.00 0.00 C ATOM 1752 CD1 PHE A 142 11.864 -1.944 3.220 1.00 0.00 C ATOM 1753 CD2 PHE A 142 11.167 -3.689 1.684 1.00 0.00 C ATOM 1754 CE1 PHE A 142 12.802 -2.816 3.782 1.00 0.00 C ATOM 1755 CE2 PHE A 142 12.105 -4.560 2.249 1.00 0.00 C ATOM 1756 CZ PHE A 142 12.922 -4.124 3.297 1.00 0.00 C ATOM 0 H PHE A 142 10.748 0.582 2.866 1.00 0.00 H new ATOM 0 HA PHE A 142 11.638 -0.612 0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.352 -1.071 2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 142 9.430 -1.958 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 142 11.771 -0.935 3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 142 10.537 -4.025 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 142 13.434 -2.480 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 142 12.198 -5.569 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 142 13.646 -4.797 3.733 1.00 0.00 H new ATOM 1766 N ARG A 143 9.917 0.098 -1.338 1.00 0.00 N ATOM 1767 CA ARG A 143 9.028 0.715 -2.367 1.00 0.00 C ATOM 1768 C ARG A 143 7.935 -0.267 -2.753 1.00 0.00 C ATOM 1769 O ARG A 143 8.177 -1.440 -2.942 1.00 0.00 O ATOM 1770 CB ARG A 143 9.858 1.055 -3.600 1.00 0.00 C ATOM 1771 CG ARG A 143 10.735 2.285 -3.326 1.00 0.00 C ATOM 1772 CD ARG A 143 9.941 3.572 -3.582 1.00 0.00 C ATOM 1773 NE ARG A 143 10.778 4.747 -3.217 1.00 0.00 N ATOM 1774 CZ ARG A 143 10.337 5.954 -3.440 1.00 0.00 C ATOM 1775 NH1 ARG A 143 9.162 6.134 -3.976 1.00 0.00 N ATOM 1776 NH2 ARG A 143 11.074 6.982 -3.123 1.00 0.00 N ATOM 0 H ARG A 143 10.581 -0.586 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 143 8.574 1.620 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.485 0.205 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.201 1.249 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 143 11.088 2.266 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.617 2.261 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.649 3.630 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.022 3.569 -2.995 1.00 0.00 H new ATOM 0 HE ARG A 143 11.695 4.609 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 143 8.585 5.330 -4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 143 8.820 7.079 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 143 11.992 6.841 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 143 10.732 7.927 -3.296 1.00 0.00 H new ATOM 1790 N LEU A 144 6.731 0.214 -2.876 1.00 0.00 N ATOM 1791 CA LEU A 144 5.598 -0.680 -3.254 1.00 0.00 C ATOM 1792 C LEU A 144 4.667 0.046 -4.216 1.00 0.00 C ATOM 1793 O LEU A 144 4.551 1.255 -4.189 1.00 0.00 O ATOM 1794 CB LEU A 144 4.811 -1.072 -1.999 1.00 0.00 C ATOM 1795 CG LEU A 144 5.710 -1.892 -1.037 1.00 0.00 C ATOM 1796 CD1 LEU A 144 6.356 -0.965 0.003 1.00 0.00 C ATOM 1797 CD2 LEU A 144 4.873 -2.958 -0.315 1.00 0.00 C ATOM 0 H LEU A 144 6.480 1.192 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 144 5.996 -1.574 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.448 -0.177 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.935 -1.658 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 144 6.491 -2.378 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.985 -1.552 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.965 -0.217 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.577 -0.467 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.513 -3.529 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.083 -2.473 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.428 -3.630 -1.049 1.00 0.00 H new ATOM 1809 N VAL A 145 3.993 -0.693 -5.056 1.00 0.00 N ATOM 1810 CA VAL A 145 3.042 -0.077 -6.028 1.00 0.00 C ATOM 1811 C VAL A 145 1.668 -0.720 -5.837 1.00 0.00 C ATOM 1812 O VAL A 145 1.548 -1.923 -5.715 1.00 0.00 O ATOM 1813 CB VAL A 145 3.543 -0.326 -7.451 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.550 -1.827 -7.745 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.626 0.386 -8.445 1.00 0.00 C ATOM 0 H VAL A 145 4.061 -1.709 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 145 2.971 0.998 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 145 4.557 0.061 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.908 -1.997 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 145 4.208 -2.333 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.539 -2.222 -7.646 1.00 0.00 H new ATOM 0 HG21 VAL A 145 2.982 0.209 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.611 0.001 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.629 1.457 -8.241 1.00 0.00 H new ATOM 1825 N PHE A 146 0.630 0.073 -5.792 1.00 0.00 N ATOM 1826 CA PHE A 146 -0.736 -0.495 -5.591 1.00 0.00 C ATOM 1827 C PHE A 146 -1.390 -0.744 -6.948 1.00 0.00 C ATOM 1828 O PHE A 146 -1.778 0.182 -7.647 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.579 0.501 -4.802 1.00 0.00 C ATOM 1830 CG PHE A 146 -2.981 -0.038 -4.653 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -3.310 -0.847 -3.559 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.949 0.268 -5.613 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -4.610 -1.349 -3.427 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -5.249 -0.233 -5.482 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.580 -1.041 -4.387 1.00 0.00 C ATOM 0 H PHE A 146 0.669 1.088 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.664 -1.435 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.137 0.672 -3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.600 1.463 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -2.561 -1.084 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -3.694 0.892 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.864 -1.974 -2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -5.997 0.003 -6.225 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.584 -1.426 -4.284 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.524 -1.994 -7.315 1.00 0.00 N ATOM 1846 CA LEU A 147 -2.157 -2.346 -8.620 1.00 0.00 C ATOM 1847 C LEU A 147 -3.050 -3.574 -8.437 1.00 0.00 C ATOM 1848 O LEU A 147 -2.817 -4.410 -7.587 1.00 0.00 O ATOM 1849 CB LEU A 147 -1.061 -2.633 -9.658 1.00 0.00 C ATOM 1850 CG LEU A 147 -0.509 -1.307 -10.219 1.00 0.00 C ATOM 1851 CD1 LEU A 147 0.868 -1.550 -10.847 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -1.459 -0.733 -11.292 1.00 0.00 C ATOM 0 H LEU A 147 -1.218 -2.793 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 147 -2.768 -1.514 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.256 -3.207 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -1.465 -3.240 -10.468 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.426 -0.592 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.258 -0.612 -11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.551 -1.935 -10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 147 0.776 -2.275 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -1.052 0.203 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.559 -1.447 -12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -2.438 -0.548 -10.850 1.00 0.00 H new ATOM 1864 N THR A 148 -4.079 -3.675 -9.226 1.00 0.00 N ATOM 1865 CA THR A 148 -5.011 -4.830 -9.111 1.00 0.00 C ATOM 1866 C THR A 148 -4.510 -5.998 -9.970 1.00 0.00 C ATOM 1867 O THR A 148 -3.567 -5.869 -10.725 1.00 0.00 O ATOM 1868 CB THR A 148 -6.397 -4.394 -9.583 1.00 0.00 C ATOM 1869 OG1 THR A 148 -6.414 -4.327 -11.003 1.00 0.00 O ATOM 1870 CG2 THR A 148 -6.719 -3.016 -9.000 1.00 0.00 C ATOM 0 H THR A 148 -4.318 -3.001 -9.953 1.00 0.00 H new ATOM 0 HA THR A 148 -5.061 -5.159 -8.073 1.00 0.00 H new ATOM 0 HB THR A 148 -7.142 -5.115 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 148 -7.303 -4.049 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 148 -7.707 -2.701 -9.335 1.00 0.00 H new ATOM 0 HG22 THR A 148 -6.704 -3.069 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 148 -5.975 -2.295 -9.338 1.00 0.00 H new