USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 586 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 98 THR OG1 : rot 139:sc= 1.35 USER MOD Set 1.2: A 103 GLN : amide:sc= 0.963 K(o=2.3,f=-0.35) USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0.435 USER MOD Set 2.2: A 87 TYR OH : rot 68:sc= 0.483 USER MOD Set 3.1: A 63 THR OG1 : rot -28:sc= 1.19 USER MOD Set 3.2: A 66 THR OG1 : rot 180:sc= 1.12 USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0.0885 USER MOD Set 4.2: A 75 SER OG : rot 134:sc= 0.0944 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.821 K(o=0.82,f=-0.59) USER MOD Single : A 58 THR OG1 : rot -68:sc= 0.877 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -125:sc= 1.18 (180deg=-0.721) USER MOD Single : A 67 MET CE :methyl -144:sc= -1.49 (180deg=-3.36!) USER MOD Single : A 76 ASN : amide:sc= -0.0822 K(o=-0.082,f=-1.4!) USER MOD Single : A 77 MET CE :methyl -172:sc= -0.368 (180deg=-0.664) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot -160:sc= -1.73! USER MOD Single : A 81 TYR OH : rot -151:sc= -1.35! USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0983 USER MOD Single : A 94 SER OG : rot -80:sc= 0.905 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 100 SER OG : rot 180:sc= 0.178 USER MOD Single : A 102 GLN : amide:sc=-0.00293 K(o=-0.0029,f=-0.77) USER MOD Single : A 106 THR OG1 : rot 65:sc= 1.25 USER MOD Single : A 109 SER OG : rot 83:sc= 2.25 USER MOD Single : A 112 TYR OH : rot -130:sc= -0.0135 USER MOD Single : A 115 GLN :FLIP amide:sc= -4.15! C(o=-5.2!,f=-4.2!) USER MOD Single : A 118 SER OG : rot 14:sc= 0.0124 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0775 X(o=-0.077,f=-0.42) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 510 N TYR A 53 0.849 -11.967 -1.843 1.00 10.00 N ATOM 511 CA TYR A 53 0.648 -10.806 -2.697 1.00 10.00 C ATOM 512 C TYR A 53 1.964 -10.346 -3.314 1.00 10.00 C ATOM 513 O TYR A 53 2.990 -10.275 -2.637 1.00 10.00 O ATOM 514 CB TYR A 53 0.026 -9.684 -1.863 1.00 10.00 C ATOM 515 CG TYR A 53 -0.263 -8.395 -2.610 1.00 10.00 C ATOM 516 CD1 TYR A 53 -0.947 -8.392 -3.819 1.00 10.00 C ATOM 517 CD2 TYR A 53 0.136 -7.175 -2.080 1.00 10.00 C ATOM 518 CE1 TYR A 53 -1.220 -7.206 -4.479 1.00 10.00 C ATOM 519 CE2 TYR A 53 -0.138 -5.989 -2.729 1.00 10.00 C ATOM 520 CZ TYR A 53 -0.815 -6.008 -3.928 1.00 10.00 C ATOM 521 OH TYR A 53 -1.092 -4.825 -4.574 1.00 10.00 O ATOM 0 HA TYR A 53 -0.021 -11.073 -3.515 1.00 10.00 H new ATOM 0 HB2 TYR A 53 -0.906 -10.050 -1.432 1.00 10.00 H new ATOM 0 HB3 TYR A 53 0.695 -9.459 -1.032 1.00 10.00 H new ATOM 0 HD1 TYR A 53 -1.270 -9.328 -4.250 1.00 10.00 H new ATOM 0 HD2 TYR A 53 0.671 -7.154 -1.142 1.00 10.00 H new ATOM 0 HE1 TYR A 53 -1.748 -7.219 -5.421 1.00 10.00 H new ATOM 0 HE2 TYR A 53 0.177 -5.050 -2.299 1.00 10.00 H new ATOM 0 HH TYR A 53 -0.738 -4.076 -4.051 1.00 10.00 H new ATOM 531 N THR A 54 1.929 -10.052 -4.602 1.00 10.00 N ATOM 532 CA THR A 54 3.114 -9.590 -5.299 1.00 10.00 C ATOM 533 C THR A 54 3.247 -8.077 -5.176 1.00 10.00 C ATOM 534 O THR A 54 2.386 -7.325 -5.641 1.00 10.00 O ATOM 535 CB THR A 54 3.082 -9.969 -6.789 1.00 10.00 C ATOM 536 OG1 THR A 54 2.808 -11.373 -6.944 1.00 10.00 O ATOM 537 CG2 THR A 54 4.403 -9.630 -7.464 1.00 10.00 C ATOM 0 H THR A 54 1.095 -10.125 -5.184 1.00 10.00 H new ATOM 0 HA THR A 54 3.970 -10.078 -4.834 1.00 10.00 H new ATOM 0 HB THR A 54 2.288 -9.393 -7.264 1.00 10.00 H new ATOM 0 HG1 THR A 54 2.789 -11.599 -7.897 1.00 10.00 H new ATOM 0 HG21 THR A 54 4.355 -9.907 -8.517 1.00 10.00 H new ATOM 0 HG22 THR A 54 4.591 -8.560 -7.379 1.00 10.00 H new ATOM 0 HG23 THR A 54 5.210 -10.180 -6.980 1.00 10.00 H new ATOM 545 N TYR A 55 4.323 -7.645 -4.552 1.00 10.00 N ATOM 546 CA TYR A 55 4.584 -6.229 -4.369 1.00 10.00 C ATOM 547 C TYR A 55 5.237 -5.671 -5.621 1.00 10.00 C ATOM 548 O TYR A 55 6.270 -6.176 -6.066 1.00 10.00 O ATOM 549 CB TYR A 55 5.484 -6.007 -3.154 1.00 10.00 C ATOM 550 CG TYR A 55 4.857 -6.454 -1.853 1.00 10.00 C ATOM 551 CD1 TYR A 55 3.796 -5.751 -1.297 1.00 10.00 C ATOM 552 CD2 TYR A 55 5.319 -7.581 -1.183 1.00 10.00 C ATOM 553 CE1 TYR A 55 3.215 -6.156 -0.112 1.00 10.00 C ATOM 554 CE2 TYR A 55 4.741 -7.992 0.003 1.00 10.00 C ATOM 555 CZ TYR A 55 3.691 -7.275 0.533 1.00 10.00 C ATOM 556 OH TYR A 55 3.112 -7.680 1.713 1.00 10.00 O ATOM 0 H TYR A 55 5.037 -8.258 -4.159 1.00 10.00 H new ATOM 0 HA TYR A 55 3.642 -5.709 -4.194 1.00 10.00 H new ATOM 0 HB2 TYR A 55 6.420 -6.545 -3.301 1.00 10.00 H new ATOM 0 HB3 TYR A 55 5.733 -4.948 -3.084 1.00 10.00 H new ATOM 0 HD1 TYR A 55 3.419 -4.873 -1.800 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.143 -8.144 -1.596 1.00 10.00 H new ATOM 0 HE1 TYR A 55 2.391 -5.598 0.307 1.00 10.00 H new ATOM 0 HE2 TYR A 55 5.110 -8.870 0.511 1.00 10.00 H new ATOM 0 HH TYR A 55 3.563 -8.486 2.039 1.00 10.00 H new ATOM 566 N GLN A 56 4.618 -4.649 -6.194 1.00 10.00 N ATOM 567 CA GLN A 56 5.123 -4.024 -7.406 1.00 10.00 C ATOM 568 C GLN A 56 4.623 -2.588 -7.498 1.00 10.00 C ATOM 569 O GLN A 56 3.550 -2.270 -6.992 1.00 10.00 O ATOM 570 CB GLN A 56 4.653 -4.819 -8.626 1.00 10.00 C ATOM 571 CG GLN A 56 5.591 -4.746 -9.815 1.00 10.00 C ATOM 572 CD GLN A 56 5.043 -5.484 -11.022 1.00 10.00 C ATOM 573 OE1 GLN A 56 4.265 -6.431 -10.886 1.00 10.00 O ATOM 574 NE2 GLN A 56 5.447 -5.069 -12.209 1.00 10.00 N ATOM 0 H GLN A 56 3.759 -4.233 -5.835 1.00 10.00 H new ATOM 0 HA GLN A 56 6.213 -4.017 -7.379 1.00 10.00 H new ATOM 0 HB2 GLN A 56 4.529 -5.863 -8.339 1.00 10.00 H new ATOM 0 HB3 GLN A 56 3.672 -4.453 -8.928 1.00 10.00 H new ATOM 0 HG2 GLN A 56 5.763 -3.702 -10.077 1.00 10.00 H new ATOM 0 HG3 GLN A 56 6.557 -5.169 -9.540 1.00 10.00 H new ATOM 0 HE21 GLN A 56 6.091 -4.282 -12.282 1.00 10.00 H new ATOM 0 HE22 GLN A 56 5.114 -5.536 -13.053 1.00 10.00 H new ATOM 583 N ALA A 57 5.411 -1.723 -8.122 1.00 10.00 N ATOM 584 CA ALA A 57 5.031 -0.327 -8.284 1.00 10.00 C ATOM 585 C ALA A 57 4.152 -0.153 -9.511 1.00 10.00 C ATOM 586 O ALA A 57 4.489 -0.625 -10.603 1.00 10.00 O ATOM 587 CB ALA A 57 6.264 0.550 -8.398 1.00 10.00 C ATOM 0 H ALA A 57 6.317 -1.964 -8.524 1.00 10.00 H new ATOM 0 HA ALA A 57 4.466 -0.023 -7.403 1.00 10.00 H new ATOM 0 HB1 ALA A 57 5.961 1.590 -8.519 1.00 10.00 H new ATOM 0 HB2 ALA A 57 6.866 0.450 -7.495 1.00 10.00 H new ATOM 0 HB3 ALA A 57 6.852 0.241 -9.262 1.00 10.00 H new ATOM 593 N THR A 58 3.031 0.523 -9.335 1.00 10.00 N ATOM 594 CA THR A 58 2.112 0.762 -10.430 1.00 10.00 C ATOM 595 C THR A 58 2.169 2.226 -10.850 1.00 10.00 C ATOM 596 O THR A 58 2.508 3.093 -10.044 1.00 10.00 O ATOM 597 CB THR A 58 0.662 0.401 -10.036 1.00 10.00 C ATOM 598 OG1 THR A 58 0.196 1.291 -9.015 1.00 10.00 O ATOM 599 CG2 THR A 58 0.574 -1.033 -9.535 1.00 10.00 C ATOM 0 H THR A 58 2.736 0.917 -8.441 1.00 10.00 H new ATOM 0 HA THR A 58 2.414 0.126 -11.262 1.00 10.00 H new ATOM 0 HB THR A 58 0.036 0.500 -10.923 1.00 10.00 H new ATOM 0 HG1 THR A 58 0.688 1.122 -8.185 1.00 10.00 H new ATOM 0 HG21 THR A 58 -0.457 -1.261 -9.264 1.00 10.00 H new ATOM 0 HG22 THR A 58 0.902 -1.714 -10.321 1.00 10.00 H new ATOM 0 HG23 THR A 58 1.214 -1.153 -8.661 1.00 10.00 H new ATOM 607 N PRO A 59 1.840 2.527 -12.116 1.00 10.00 N ATOM 608 CA PRO A 59 1.840 3.905 -12.622 1.00 10.00 C ATOM 609 C PRO A 59 0.681 4.722 -12.047 1.00 10.00 C ATOM 610 O PRO A 59 0.453 5.867 -12.438 1.00 10.00 O ATOM 611 CB PRO A 59 1.681 3.728 -14.133 1.00 10.00 C ATOM 612 CG PRO A 59 0.981 2.423 -14.291 1.00 10.00 C ATOM 613 CD PRO A 59 1.464 1.553 -13.162 1.00 10.00 C ATOM 0 HA PRO A 59 2.742 4.450 -12.342 1.00 10.00 H new ATOM 0 HB2 PRO A 59 1.102 4.543 -14.568 1.00 10.00 H new ATOM 0 HB3 PRO A 59 2.649 3.721 -14.635 1.00 10.00 H new ATOM 0 HG2 PRO A 59 -0.100 2.553 -14.248 1.00 10.00 H new ATOM 0 HG3 PRO A 59 1.210 1.972 -15.257 1.00 10.00 H new ATOM 0 HD2 PRO A 59 0.685 0.873 -12.817 1.00 10.00 H new ATOM 0 HD3 PRO A 59 2.313 0.939 -13.463 1.00 10.00 H new ATOM 621 N MET A 60 -0.047 4.117 -11.114 1.00 10.00 N ATOM 622 CA MET A 60 -1.178 4.765 -10.471 1.00 10.00 C ATOM 623 C MET A 60 -0.826 5.177 -9.046 1.00 10.00 C ATOM 624 O MET A 60 -1.561 5.932 -8.409 1.00 10.00 O ATOM 625 CB MET A 60 -2.379 3.822 -10.441 1.00 10.00 C ATOM 626 CG MET A 60 -2.953 3.504 -11.810 1.00 10.00 C ATOM 627 SD MET A 60 -4.436 2.484 -11.713 1.00 10.00 S ATOM 628 CE MET A 60 -5.086 2.673 -13.370 1.00 10.00 C ATOM 0 H MET A 60 0.132 3.168 -10.785 1.00 10.00 H new ATOM 0 HA MET A 60 -1.428 5.656 -11.046 1.00 10.00 H new ATOM 0 HB2 MET A 60 -2.084 2.891 -9.958 1.00 10.00 H new ATOM 0 HB3 MET A 60 -3.161 4.267 -9.826 1.00 10.00 H new ATOM 0 HG2 MET A 60 -3.188 4.434 -12.327 1.00 10.00 H new ATOM 0 HG3 MET A 60 -2.200 2.989 -12.406 1.00 10.00 H new ATOM 0 HE1 MET A 60 -6.007 2.098 -13.467 1.00 10.00 H new ATOM 0 HE2 MET A 60 -5.293 3.726 -13.562 1.00 10.00 H new ATOM 0 HE3 MET A 60 -4.354 2.310 -14.092 1.00 10.00 H new ATOM 638 N ASP A 61 0.298 4.674 -8.547 1.00 10.00 N ATOM 639 CA ASP A 61 0.738 4.988 -7.189 1.00 10.00 C ATOM 640 C ASP A 61 1.161 6.443 -7.090 1.00 10.00 C ATOM 641 O ASP A 61 0.699 7.181 -6.217 1.00 10.00 O ATOM 642 CB ASP A 61 1.892 4.076 -6.769 1.00 10.00 C ATOM 643 CG ASP A 61 1.433 2.663 -6.472 1.00 10.00 C ATOM 644 OD1 ASP A 61 0.557 2.487 -5.599 1.00 10.00 O ATOM 645 OD2 ASP A 61 1.933 1.721 -7.125 1.00 10.00 O ATOM 0 H ASP A 61 0.920 4.049 -9.059 1.00 10.00 H new ATOM 0 HA ASP A 61 -0.101 4.819 -6.514 1.00 10.00 H new ATOM 0 HB2 ASP A 61 2.640 4.053 -7.561 1.00 10.00 H new ATOM 0 HB3 ASP A 61 2.376 4.491 -5.885 1.00 10.00 H new ATOM 650 N GLY A 62 2.039 6.855 -7.986 1.00 10.00 N ATOM 651 CA GLY A 62 2.492 8.226 -7.992 1.00 10.00 C ATOM 652 C GLY A 62 3.818 8.409 -7.286 1.00 10.00 C ATOM 653 O GLY A 62 4.832 8.687 -7.926 1.00 10.00 O ATOM 0 H GLY A 62 2.447 6.264 -8.710 1.00 10.00 H new ATOM 0 HA2 GLY A 62 2.584 8.569 -9.023 1.00 10.00 H new ATOM 0 HA3 GLY A 62 1.741 8.854 -7.513 1.00 10.00 H new ATOM 657 N THR A 63 3.829 8.236 -5.973 1.00 10.00 N ATOM 658 CA THR A 63 5.053 8.421 -5.213 1.00 10.00 C ATOM 659 C THR A 63 5.379 7.216 -4.348 1.00 10.00 C ATOM 660 O THR A 63 4.564 6.305 -4.193 1.00 10.00 O ATOM 661 CB THR A 63 4.983 9.675 -4.313 1.00 10.00 C ATOM 662 OG1 THR A 63 3.968 9.517 -3.312 1.00 10.00 O ATOM 663 CG2 THR A 63 4.696 10.923 -5.130 1.00 10.00 C ATOM 0 H THR A 63 3.015 7.971 -5.418 1.00 10.00 H new ATOM 0 HA THR A 63 5.844 8.549 -5.952 1.00 10.00 H new ATOM 0 HB THR A 63 5.954 9.789 -3.831 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.267 8.921 -3.648 1.00 10.00 H new ATOM 0 HG21 THR A 63 4.653 11.789 -4.469 1.00 10.00 H new ATOM 0 HG22 THR A 63 5.488 11.067 -5.865 1.00 10.00 H new ATOM 0 HG23 THR A 63 3.741 10.810 -5.643 1.00 10.00 H new ATOM 671 N LEU A 64 6.583 7.240 -3.786 1.00 10.00 N ATOM 672 CA LEU A 64 7.076 6.184 -2.916 1.00 10.00 C ATOM 673 C LEU A 64 6.141 5.982 -1.727 1.00 10.00 C ATOM 674 O LEU A 64 5.824 4.850 -1.361 1.00 10.00 O ATOM 675 CB LEU A 64 8.484 6.551 -2.433 1.00 10.00 C ATOM 676 CG LEU A 64 9.084 5.624 -1.380 1.00 10.00 C ATOM 677 CD1 LEU A 64 9.303 4.230 -1.951 1.00 10.00 C ATOM 678 CD2 LEU A 64 10.391 6.196 -0.853 1.00 10.00 C ATOM 0 H LEU A 64 7.248 8.001 -3.924 1.00 10.00 H new ATOM 0 HA LEU A 64 7.113 5.248 -3.473 1.00 10.00 H new ATOM 0 HB2 LEU A 64 9.150 6.571 -3.295 1.00 10.00 H new ATOM 0 HB3 LEU A 64 8.457 7.562 -2.027 1.00 10.00 H new ATOM 0 HG LEU A 64 8.381 5.546 -0.551 1.00 10.00 H new ATOM 0 HD11 LEU A 64 9.731 3.586 -1.183 1.00 10.00 H new ATOM 0 HD12 LEU A 64 8.349 3.818 -2.280 1.00 10.00 H new ATOM 0 HD13 LEU A 64 9.985 4.287 -2.799 1.00 10.00 H new ATOM 0 HD21 LEU A 64 10.806 5.523 -0.103 1.00 10.00 H new ATOM 0 HD22 LEU A 64 11.099 6.304 -1.675 1.00 10.00 H new ATOM 0 HD23 LEU A 64 10.206 7.171 -0.403 1.00 10.00 H new ATOM 690 N LYS A 65 5.689 7.089 -1.146 1.00 10.00 N ATOM 691 CA LYS A 65 4.790 7.046 -0.001 1.00 10.00 C ATOM 692 C LYS A 65 3.493 6.319 -0.352 1.00 10.00 C ATOM 693 O LYS A 65 3.097 5.378 0.331 1.00 10.00 O ATOM 694 CB LYS A 65 4.485 8.467 0.477 1.00 10.00 C ATOM 695 CG LYS A 65 3.539 8.521 1.668 1.00 10.00 C ATOM 696 CD LYS A 65 3.245 9.953 2.084 1.00 10.00 C ATOM 697 CE LYS A 65 4.404 10.556 2.858 1.00 10.00 C ATOM 698 NZ LYS A 65 4.331 12.037 2.912 1.00 10.00 N ATOM 0 H LYS A 65 5.933 8.031 -1.452 1.00 10.00 H new ATOM 0 HA LYS A 65 5.282 6.496 0.801 1.00 10.00 H new ATOM 0 HB2 LYS A 65 5.420 8.960 0.744 1.00 10.00 H new ATOM 0 HB3 LYS A 65 4.050 9.033 -0.347 1.00 10.00 H new ATOM 0 HG2 LYS A 65 2.607 8.016 1.416 1.00 10.00 H new ATOM 0 HG3 LYS A 65 3.978 7.981 2.507 1.00 10.00 H new ATOM 0 HD2 LYS A 65 3.044 10.556 1.199 1.00 10.00 H new ATOM 0 HD3 LYS A 65 2.344 9.977 2.697 1.00 10.00 H new ATOM 0 HE2 LYS A 65 4.408 10.157 3.872 1.00 10.00 H new ATOM 0 HE3 LYS A 65 5.344 10.257 2.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 65 5.217 12.442 2.548 1.00 10.00 H new ATOM 0 HZ2 LYS A 65 3.535 12.367 2.330 1.00 10.00 H new ATOM 0 HZ3 LYS A 65 4.190 12.342 3.896 1.00 10.00 H new ATOM 712 N THR A 66 2.854 6.751 -1.436 1.00 10.00 N ATOM 713 CA THR A 66 1.604 6.154 -1.885 1.00 10.00 C ATOM 714 C THR A 66 1.775 4.667 -2.177 1.00 10.00 C ATOM 715 O THR A 66 0.935 3.845 -1.800 1.00 10.00 O ATOM 716 CB THR A 66 1.095 6.862 -3.152 1.00 10.00 C ATOM 717 OG1 THR A 66 1.690 8.166 -3.251 1.00 10.00 O ATOM 718 CG2 THR A 66 -0.418 6.992 -3.128 1.00 10.00 C ATOM 0 H THR A 66 3.186 7.517 -2.022 1.00 10.00 H new ATOM 0 HA THR A 66 0.877 6.273 -1.082 1.00 10.00 H new ATOM 0 HB THR A 66 1.377 6.263 -4.018 1.00 10.00 H new ATOM 0 HG1 THR A 66 1.365 8.613 -4.060 1.00 10.00 H new ATOM 0 HG21 THR A 66 -0.754 7.496 -4.034 1.00 10.00 H new ATOM 0 HG22 THR A 66 -0.868 6.000 -3.076 1.00 10.00 H new ATOM 0 HG23 THR A 66 -0.719 7.573 -2.257 1.00 10.00 H new ATOM 726 N MET A 67 2.878 4.333 -2.837 1.00 10.00 N ATOM 727 CA MET A 67 3.180 2.954 -3.197 1.00 10.00 C ATOM 728 C MET A 67 3.365 2.088 -1.952 1.00 10.00 C ATOM 729 O MET A 67 2.722 1.048 -1.807 1.00 10.00 O ATOM 730 CB MET A 67 4.443 2.908 -4.056 1.00 10.00 C ATOM 731 CG MET A 67 4.802 1.516 -4.545 1.00 10.00 C ATOM 732 SD MET A 67 6.457 1.444 -5.254 1.00 10.00 S ATOM 733 CE MET A 67 7.469 1.581 -3.784 1.00 10.00 C ATOM 0 H MET A 67 3.584 5.006 -3.136 1.00 10.00 H new ATOM 0 HA MET A 67 2.339 2.557 -3.765 1.00 10.00 H new ATOM 0 HB2 MET A 67 4.309 3.562 -4.918 1.00 10.00 H new ATOM 0 HB3 MET A 67 5.278 3.307 -3.480 1.00 10.00 H new ATOM 0 HG2 MET A 67 4.734 0.813 -3.715 1.00 10.00 H new ATOM 0 HG3 MET A 67 4.075 1.197 -5.292 1.00 10.00 H new ATOM 0 HE1 MET A 67 8.362 2.164 -4.010 1.00 10.00 H new ATOM 0 HE2 MET A 67 6.902 2.077 -2.997 1.00 10.00 H new ATOM 0 HE3 MET A 67 7.761 0.586 -3.449 1.00 10.00 H new ATOM 743 N LEU A 68 4.231 2.535 -1.046 1.00 10.00 N ATOM 744 CA LEU A 68 4.504 1.795 0.179 1.00 10.00 C ATOM 745 C LEU A 68 3.253 1.672 1.040 1.00 10.00 C ATOM 746 O LEU A 68 3.032 0.642 1.678 1.00 10.00 O ATOM 747 CB LEU A 68 5.623 2.462 0.974 1.00 10.00 C ATOM 748 CG LEU A 68 7.021 2.345 0.361 1.00 10.00 C ATOM 749 CD1 LEU A 68 8.032 3.102 1.202 1.00 10.00 C ATOM 750 CD2 LEU A 68 7.430 0.884 0.224 1.00 10.00 C ATOM 0 H LEU A 68 4.754 3.406 -1.139 1.00 10.00 H new ATOM 0 HA LEU A 68 4.823 0.792 -0.106 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.383 3.519 1.091 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.645 2.028 1.973 1.00 10.00 H new ATOM 0 HG LEU A 68 6.996 2.787 -0.635 1.00 10.00 H new ATOM 0 HD11 LEU A 68 9.021 3.009 0.753 1.00 10.00 H new ATOM 0 HD12 LEU A 68 7.752 4.154 1.248 1.00 10.00 H new ATOM 0 HD13 LEU A 68 8.051 2.687 2.210 1.00 10.00 H new ATOM 0 HD21 LEU A 68 8.426 0.825 -0.214 1.00 10.00 H new ATOM 0 HD22 LEU A 68 7.437 0.414 1.208 1.00 10.00 H new ATOM 0 HD23 LEU A 68 6.719 0.366 -0.420 1.00 10.00 H new ATOM 762 N GLU A 69 2.439 2.723 1.054 1.00 10.00 N ATOM 763 CA GLU A 69 1.199 2.715 1.820 1.00 10.00 C ATOM 764 C GLU A 69 0.299 1.593 1.330 1.00 10.00 C ATOM 765 O GLU A 69 -0.274 0.854 2.126 1.00 10.00 O ATOM 766 CB GLU A 69 0.473 4.057 1.699 1.00 10.00 C ATOM 767 CG GLU A 69 0.779 5.026 2.831 1.00 10.00 C ATOM 768 CD GLU A 69 0.251 4.553 4.173 1.00 10.00 C ATOM 769 OE1 GLU A 69 -0.778 3.843 4.201 1.00 10.00 O ATOM 770 OE2 GLU A 69 0.858 4.894 5.211 1.00 10.00 O ATOM 0 H GLU A 69 2.616 3.589 0.545 1.00 10.00 H new ATOM 0 HA GLU A 69 1.443 2.552 2.870 1.00 10.00 H new ATOM 0 HB2 GLU A 69 0.745 4.522 0.752 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.602 3.877 1.668 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.858 5.167 2.900 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.345 5.998 2.598 1.00 10.00 H new ATOM 777 N ARG A 70 0.207 1.460 0.012 1.00 10.00 N ATOM 778 CA ARG A 70 -0.612 0.425 -0.605 1.00 10.00 C ATOM 779 C ARG A 70 -0.058 -0.960 -0.278 1.00 10.00 C ATOM 780 O ARG A 70 -0.810 -1.883 0.032 1.00 10.00 O ATOM 781 CB ARG A 70 -0.667 0.635 -2.123 1.00 10.00 C ATOM 782 CG ARG A 70 -1.405 -0.463 -2.873 1.00 10.00 C ATOM 783 CD ARG A 70 -1.942 0.039 -4.203 1.00 10.00 C ATOM 784 NE ARG A 70 -3.022 1.008 -4.020 1.00 10.00 N ATOM 785 CZ ARG A 70 -4.156 1.009 -4.720 1.00 10.00 C ATOM 786 NH1 ARG A 70 -4.347 0.123 -5.691 1.00 10.00 N ATOM 787 NH2 ARG A 70 -5.099 1.899 -4.444 1.00 10.00 N ATOM 0 H ARG A 70 0.693 2.061 -0.653 1.00 10.00 H new ATOM 0 HA ARG A 70 -1.623 0.493 -0.204 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -1.150 1.590 -2.330 1.00 10.00 H new ATOM 0 HB3 ARG A 70 0.351 0.702 -2.507 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -0.733 -1.304 -3.044 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -2.229 -0.833 -2.262 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -1.134 0.498 -4.772 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -2.306 -0.804 -4.790 1.00 10.00 H new ATOM 0 HE ARG A 70 -2.899 1.730 -3.310 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -3.623 -0.563 -5.905 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -5.217 0.129 -6.223 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -4.955 2.580 -3.698 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -5.968 1.903 -4.978 1.00 10.00 H new ATOM 801 N TRP A 71 1.264 -1.086 -0.331 1.00 10.00 N ATOM 802 CA TRP A 71 1.929 -2.350 -0.036 1.00 10.00 C ATOM 803 C TRP A 71 1.647 -2.782 1.402 1.00 10.00 C ATOM 804 O TRP A 71 1.232 -3.912 1.656 1.00 10.00 O ATOM 805 CB TRP A 71 3.442 -2.221 -0.237 1.00 10.00 C ATOM 806 CG TRP A 71 3.879 -2.148 -1.673 1.00 10.00 C ATOM 807 CD1 TRP A 71 3.087 -2.021 -2.781 1.00 10.00 C ATOM 808 CD2 TRP A 71 5.227 -2.198 -2.150 1.00 10.00 C ATOM 809 NE1 TRP A 71 3.865 -1.990 -3.912 1.00 10.00 N ATOM 810 CE2 TRP A 71 5.181 -2.096 -3.551 1.00 10.00 C ATOM 811 CE3 TRP A 71 6.470 -2.319 -1.523 1.00 10.00 C ATOM 812 CZ2 TRP A 71 6.329 -2.111 -4.337 1.00 10.00 C ATOM 813 CZ3 TRP A 71 7.609 -2.332 -2.304 1.00 10.00 C ATOM 814 CH2 TRP A 71 7.531 -2.229 -3.699 1.00 10.00 C ATOM 0 H TRP A 71 1.898 -0.325 -0.576 1.00 10.00 H new ATOM 0 HA TRP A 71 1.538 -3.103 -0.721 1.00 10.00 H new ATOM 0 HB2 TRP A 71 3.789 -1.327 0.280 1.00 10.00 H new ATOM 0 HB3 TRP A 71 3.932 -3.073 0.235 1.00 10.00 H new ATOM 0 HD1 TRP A 71 2.009 -1.955 -2.768 1.00 10.00 H new ATOM 0 HE1 TRP A 71 3.518 -1.902 -4.867 1.00 10.00 H new ATOM 0 HE3 TRP A 71 6.539 -2.401 -0.448 1.00 10.00 H new ATOM 0 HZ2 TRP A 71 6.272 -2.032 -5.413 1.00 10.00 H new ATOM 0 HZ3 TRP A 71 8.576 -2.423 -1.831 1.00 10.00 H new ATOM 0 HH2 TRP A 71 8.440 -2.243 -4.282 1.00 10.00 H new ATOM 825 N ALA A 72 1.859 -1.860 2.335 1.00 10.00 N ATOM 826 CA ALA A 72 1.648 -2.132 3.750 1.00 10.00 C ATOM 827 C ALA A 72 0.169 -2.326 4.073 1.00 10.00 C ATOM 828 O ALA A 72 -0.182 -3.163 4.902 1.00 10.00 O ATOM 829 CB ALA A 72 2.222 -1.000 4.591 1.00 10.00 C ATOM 0 H ALA A 72 2.179 -0.913 2.134 1.00 10.00 H new ATOM 0 HA ALA A 72 2.165 -3.061 3.990 1.00 10.00 H new ATOM 0 HB1 ALA A 72 2.059 -1.213 5.648 1.00 10.00 H new ATOM 0 HB2 ALA A 72 3.291 -0.911 4.400 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.727 -0.065 4.329 1.00 10.00 H new ATOM 835 N ALA A 73 -0.689 -1.563 3.405 1.00 10.00 N ATOM 836 CA ALA A 73 -2.130 -1.633 3.636 1.00 10.00 C ATOM 837 C ALA A 73 -2.678 -3.029 3.373 1.00 10.00 C ATOM 838 O ALA A 73 -3.510 -3.529 4.134 1.00 10.00 O ATOM 839 CB ALA A 73 -2.854 -0.620 2.765 1.00 10.00 C ATOM 0 H ALA A 73 -0.411 -0.885 2.695 1.00 10.00 H new ATOM 0 HA ALA A 73 -2.304 -1.398 4.686 1.00 10.00 H new ATOM 0 HB1 ALA A 73 -3.927 -0.684 2.948 1.00 10.00 H new ATOM 0 HB2 ALA A 73 -2.504 0.384 3.006 1.00 10.00 H new ATOM 0 HB3 ALA A 73 -2.652 -0.832 1.715 1.00 10.00 H new ATOM 845 N ASP A 74 -2.195 -3.662 2.307 1.00 10.00 N ATOM 846 CA ASP A 74 -2.652 -5.000 1.939 1.00 10.00 C ATOM 847 C ASP A 74 -2.464 -5.992 3.084 1.00 10.00 C ATOM 848 O ASP A 74 -3.326 -6.831 3.334 1.00 10.00 O ATOM 849 CB ASP A 74 -1.921 -5.510 0.698 1.00 10.00 C ATOM 850 CG ASP A 74 -2.578 -6.756 0.133 1.00 10.00 C ATOM 851 OD1 ASP A 74 -3.569 -6.622 -0.618 1.00 10.00 O ATOM 852 OD2 ASP A 74 -2.119 -7.874 0.445 1.00 10.00 O ATOM 0 H ASP A 74 -1.489 -3.271 1.684 1.00 10.00 H new ATOM 0 HA ASP A 74 -3.716 -4.921 1.718 1.00 10.00 H new ATOM 0 HB2 ASP A 74 -1.907 -4.729 -0.063 1.00 10.00 H new ATOM 0 HB3 ASP A 74 -0.883 -5.728 0.951 1.00 10.00 H new ATOM 857 N SER A 75 -1.346 -5.875 3.790 1.00 10.00 N ATOM 858 CA SER A 75 -1.050 -6.773 4.898 1.00 10.00 C ATOM 859 C SER A 75 -1.327 -6.117 6.249 1.00 10.00 C ATOM 860 O SER A 75 -0.896 -6.626 7.285 1.00 10.00 O ATOM 861 CB SER A 75 0.407 -7.224 4.828 1.00 10.00 C ATOM 862 OG SER A 75 0.650 -7.980 3.657 1.00 10.00 O ATOM 0 H SER A 75 -0.631 -5.169 3.615 1.00 10.00 H new ATOM 0 HA SER A 75 -1.707 -7.638 4.808 1.00 10.00 H new ATOM 0 HB2 SER A 75 1.062 -6.353 4.845 1.00 10.00 H new ATOM 0 HB3 SER A 75 0.649 -7.821 5.707 1.00 10.00 H new ATOM 0 HG SER A 75 1.477 -7.669 3.233 1.00 10.00 H new ATOM 868 N ASN A 76 -2.045 -4.993 6.232 1.00 10.00 N ATOM 869 CA ASN A 76 -2.387 -4.262 7.459 1.00 10.00 C ATOM 870 C ASN A 76 -1.135 -3.919 8.267 1.00 10.00 C ATOM 871 O ASN A 76 -1.139 -3.970 9.501 1.00 10.00 O ATOM 872 CB ASN A 76 -3.357 -5.081 8.321 1.00 10.00 C ATOM 873 CG ASN A 76 -4.795 -4.975 7.857 1.00 10.00 C ATOM 874 OD1 ASN A 76 -5.211 -3.959 7.299 1.00 10.00 O ATOM 875 ND2 ASN A 76 -5.566 -6.023 8.089 1.00 10.00 N ATOM 0 H ASN A 76 -2.404 -4.565 5.378 1.00 10.00 H new ATOM 0 HA ASN A 76 -2.871 -3.331 7.165 1.00 10.00 H new ATOM 0 HB2 ASN A 76 -3.052 -6.127 8.306 1.00 10.00 H new ATOM 0 HB3 ASN A 76 -3.289 -4.744 9.355 1.00 10.00 H new ATOM 0 HD21 ASN A 76 -6.545 -6.009 7.803 1.00 10.00 H new ATOM 0 HD22 ASN A 76 -5.182 -6.846 8.554 1.00 10.00 H new ATOM 882 N MET A 77 -0.069 -3.572 7.564 1.00 10.00 N ATOM 883 CA MET A 77 1.189 -3.221 8.205 1.00 10.00 C ATOM 884 C MET A 77 1.290 -1.714 8.356 1.00 10.00 C ATOM 885 O MET A 77 0.447 -0.975 7.848 1.00 10.00 O ATOM 886 CB MET A 77 2.380 -3.750 7.402 1.00 10.00 C ATOM 887 CG MET A 77 2.419 -5.264 7.285 1.00 10.00 C ATOM 888 SD MET A 77 4.097 -5.924 7.172 1.00 10.00 S ATOM 889 CE MET A 77 4.838 -4.808 5.986 1.00 10.00 C ATOM 0 H MET A 77 -0.050 -3.526 6.545 1.00 10.00 H new ATOM 0 HA MET A 77 1.212 -3.684 9.192 1.00 10.00 H new ATOM 0 HB2 MET A 77 2.352 -3.319 6.401 1.00 10.00 H new ATOM 0 HB3 MET A 77 3.303 -3.408 7.871 1.00 10.00 H new ATOM 0 HG2 MET A 77 1.920 -5.702 8.150 1.00 10.00 H new ATOM 0 HG3 MET A 77 1.855 -5.569 6.403 1.00 10.00 H new ATOM 0 HE1 MET A 77 5.827 -5.175 5.710 1.00 10.00 H new ATOM 0 HE2 MET A 77 4.210 -4.753 5.097 1.00 10.00 H new ATOM 0 HE3 MET A 77 4.930 -3.816 6.428 1.00 10.00 H new ATOM 899 N GLN A 78 2.319 -1.262 9.049 1.00 10.00 N ATOM 900 CA GLN A 78 2.515 0.162 9.272 1.00 10.00 C ATOM 901 C GLN A 78 3.618 0.707 8.374 1.00 10.00 C ATOM 902 O GLN A 78 4.485 -0.040 7.920 1.00 10.00 O ATOM 903 CB GLN A 78 2.870 0.409 10.738 1.00 10.00 C ATOM 904 CG GLN A 78 1.787 -0.036 11.705 1.00 10.00 C ATOM 905 CD GLN A 78 2.354 -0.528 13.020 1.00 10.00 C ATOM 906 OE1 GLN A 78 2.656 -1.712 13.175 1.00 10.00 O ATOM 907 NE2 GLN A 78 2.507 0.377 13.972 1.00 10.00 N ATOM 0 H GLN A 78 3.033 -1.859 9.468 1.00 10.00 H new ATOM 0 HA GLN A 78 1.588 0.681 9.028 1.00 10.00 H new ATOM 0 HB2 GLN A 78 3.795 -0.117 10.973 1.00 10.00 H new ATOM 0 HB3 GLN A 78 3.062 1.472 10.883 1.00 10.00 H new ATOM 0 HG2 GLN A 78 1.108 0.796 11.894 1.00 10.00 H new ATOM 0 HG3 GLN A 78 1.198 -0.830 11.246 1.00 10.00 H new ATOM 0 HE21 GLN A 78 2.244 1.347 13.800 1.00 10.00 H new ATOM 0 HE22 GLN A 78 2.889 0.105 14.878 1.00 10.00 H new ATOM 916 N LEU A 79 3.577 2.006 8.116 1.00 10.00 N ATOM 917 CA LEU A 79 4.583 2.662 7.290 1.00 10.00 C ATOM 918 C LEU A 79 5.143 3.871 8.010 1.00 10.00 C ATOM 919 O LEU A 79 4.400 4.686 8.556 1.00 10.00 O ATOM 920 CB LEU A 79 4.002 3.093 5.941 1.00 10.00 C ATOM 921 CG LEU A 79 4.954 3.925 5.075 1.00 10.00 C ATOM 922 CD1 LEU A 79 6.034 3.042 4.479 1.00 10.00 C ATOM 923 CD2 LEU A 79 4.196 4.657 3.980 1.00 10.00 C ATOM 0 H LEU A 79 2.853 2.631 8.469 1.00 10.00 H new ATOM 0 HA LEU A 79 5.382 1.943 7.107 1.00 10.00 H new ATOM 0 HB2 LEU A 79 3.710 2.202 5.385 1.00 10.00 H new ATOM 0 HB3 LEU A 79 3.095 3.670 6.118 1.00 10.00 H new ATOM 0 HG LEU A 79 5.428 4.672 5.712 1.00 10.00 H new ATOM 0 HD11 LEU A 79 6.702 3.647 3.867 1.00 10.00 H new ATOM 0 HD12 LEU A 79 6.603 2.572 5.281 1.00 10.00 H new ATOM 0 HD13 LEU A 79 5.574 2.271 3.861 1.00 10.00 H new ATOM 0 HD21 LEU A 79 4.895 5.240 3.380 1.00 10.00 H new ATOM 0 HD22 LEU A 79 3.687 3.933 3.343 1.00 10.00 H new ATOM 0 HD23 LEU A 79 3.461 5.324 4.430 1.00 10.00 H new ATOM 935 N SER A 80 6.454 3.972 8.007 1.00 10.00 N ATOM 936 CA SER A 80 7.138 5.065 8.654 1.00 10.00 C ATOM 937 C SER A 80 7.971 5.852 7.652 1.00 10.00 C ATOM 938 O SER A 80 9.096 5.470 7.320 1.00 10.00 O ATOM 939 CB SER A 80 8.018 4.506 9.758 1.00 10.00 C ATOM 940 OG SER A 80 7.228 3.923 10.778 1.00 10.00 O ATOM 0 H SER A 80 7.073 3.299 7.556 1.00 10.00 H new ATOM 0 HA SER A 80 6.405 5.749 9.081 1.00 10.00 H new ATOM 0 HB2 SER A 80 8.698 3.760 9.346 1.00 10.00 H new ATOM 0 HB3 SER A 80 8.634 5.302 10.177 1.00 10.00 H new ATOM 0 HG SER A 80 7.754 3.858 11.602 1.00 10.00 H new ATOM 946 N TYR A 81 7.408 6.945 7.167 1.00 10.00 N ATOM 947 CA TYR A 81 8.085 7.794 6.203 1.00 10.00 C ATOM 948 C TYR A 81 8.955 8.824 6.923 1.00 10.00 C ATOM 949 O TYR A 81 8.461 9.851 7.385 1.00 10.00 O ATOM 950 CB TYR A 81 7.054 8.494 5.316 1.00 10.00 C ATOM 951 CG TYR A 81 7.579 8.904 3.958 1.00 10.00 C ATOM 952 CD1 TYR A 81 7.808 7.959 2.965 1.00 10.00 C ATOM 953 CD2 TYR A 81 7.828 10.238 3.664 1.00 10.00 C ATOM 954 CE1 TYR A 81 8.270 8.334 1.718 1.00 10.00 C ATOM 955 CE2 TYR A 81 8.283 10.621 2.417 1.00 10.00 C ATOM 956 CZ TYR A 81 8.505 9.667 1.449 1.00 10.00 C ATOM 957 OH TYR A 81 8.958 10.047 0.205 1.00 10.00 O ATOM 0 H TYR A 81 6.476 7.267 7.428 1.00 10.00 H new ATOM 0 HA TYR A 81 8.729 7.177 5.577 1.00 10.00 H new ATOM 0 HB2 TYR A 81 6.200 7.830 5.178 1.00 10.00 H new ATOM 0 HB3 TYR A 81 6.688 9.380 5.834 1.00 10.00 H new ATOM 0 HD1 TYR A 81 7.622 6.915 3.171 1.00 10.00 H new ATOM 0 HD2 TYR A 81 7.663 10.989 4.423 1.00 10.00 H new ATOM 0 HE1 TYR A 81 8.446 7.588 0.958 1.00 10.00 H new ATOM 0 HE2 TYR A 81 8.464 11.664 2.202 1.00 10.00 H new ATOM 0 HH TYR A 81 9.494 10.864 0.287 1.00 10.00 H new ATOM 967 N ASN A 82 10.247 8.545 7.026 1.00 10.00 N ATOM 968 CA ASN A 82 11.169 9.456 7.699 1.00 10.00 C ATOM 969 C ASN A 82 11.931 10.296 6.685 1.00 10.00 C ATOM 970 O ASN A 82 13.011 10.814 6.972 1.00 10.00 O ATOM 971 CB ASN A 82 12.153 8.681 8.582 1.00 10.00 C ATOM 972 CG ASN A 82 11.537 8.250 9.900 1.00 10.00 C ATOM 973 OD1 ASN A 82 11.559 8.991 10.882 1.00 10.00 O ATOM 974 ND2 ASN A 82 10.986 7.045 9.928 1.00 10.00 N ATOM 0 H ASN A 82 10.681 7.700 6.655 1.00 10.00 H new ATOM 0 HA ASN A 82 10.581 10.120 8.333 1.00 10.00 H new ATOM 0 HB2 ASN A 82 12.503 7.801 8.043 1.00 10.00 H new ATOM 0 HB3 ASN A 82 13.026 9.303 8.779 1.00 10.00 H new ATOM 0 HD21 ASN A 82 10.558 6.700 10.787 1.00 10.00 H new ATOM 0 HD22 ASN A 82 10.990 6.463 9.090 1.00 10.00 H new ATOM 981 N LEU A 83 11.366 10.421 5.492 1.00 10.00 N ATOM 982 CA LEU A 83 11.982 11.208 4.436 1.00 10.00 C ATOM 983 C LEU A 83 11.490 12.645 4.515 1.00 10.00 C ATOM 984 O LEU A 83 10.316 12.886 4.803 1.00 10.00 O ATOM 985 CB LEU A 83 11.664 10.623 3.058 1.00 10.00 C ATOM 986 CG LEU A 83 12.115 9.179 2.833 1.00 10.00 C ATOM 987 CD1 LEU A 83 11.929 8.788 1.377 1.00 10.00 C ATOM 988 CD2 LEU A 83 13.566 9.004 3.246 1.00 10.00 C ATOM 0 H LEU A 83 10.481 9.986 5.232 1.00 10.00 H new ATOM 0 HA LEU A 83 13.063 11.184 4.574 1.00 10.00 H new ATOM 0 HB2 LEU A 83 10.587 10.677 2.900 1.00 10.00 H new ATOM 0 HB3 LEU A 83 12.130 11.252 2.300 1.00 10.00 H new ATOM 0 HG LEU A 83 11.499 8.525 3.450 1.00 10.00 H new ATOM 0 HD11 LEU A 83 12.254 7.758 1.233 1.00 10.00 H new ATOM 0 HD12 LEU A 83 10.877 8.877 1.108 1.00 10.00 H new ATOM 0 HD13 LEU A 83 12.523 9.448 0.744 1.00 10.00 H new ATOM 0 HD21 LEU A 83 13.870 7.971 3.079 1.00 10.00 H new ATOM 0 HD22 LEU A 83 14.196 9.668 2.653 1.00 10.00 H new ATOM 0 HD23 LEU A 83 13.676 9.248 4.303 1.00 10.00 H new ATOM 1000 N PRO A 84 12.384 13.613 4.263 1.00 10.00 N ATOM 1001 CA PRO A 84 12.044 15.040 4.317 1.00 10.00 C ATOM 1002 C PRO A 84 10.974 15.433 3.300 1.00 10.00 C ATOM 1003 O PRO A 84 10.138 16.295 3.566 1.00 10.00 O ATOM 1004 CB PRO A 84 13.372 15.745 4.003 1.00 10.00 C ATOM 1005 CG PRO A 84 14.214 14.714 3.331 1.00 10.00 C ATOM 1006 CD PRO A 84 13.799 13.396 3.917 1.00 10.00 C ATOM 0 HA PRO A 84 11.622 15.313 5.284 1.00 10.00 H new ATOM 0 HB2 PRO A 84 13.216 16.608 3.356 1.00 10.00 H new ATOM 0 HB3 PRO A 84 13.848 16.110 4.913 1.00 10.00 H new ATOM 0 HG2 PRO A 84 14.060 14.727 2.252 1.00 10.00 H new ATOM 0 HG3 PRO A 84 15.274 14.902 3.504 1.00 10.00 H new ATOM 0 HD2 PRO A 84 13.919 12.582 3.202 1.00 10.00 H new ATOM 0 HD3 PRO A 84 14.393 13.140 4.794 1.00 10.00 H new ATOM 1014 N SER A 85 10.992 14.785 2.145 1.00 10.00 N ATOM 1015 CA SER A 85 10.035 15.074 1.092 1.00 10.00 C ATOM 1016 C SER A 85 9.549 13.788 0.428 1.00 10.00 C ATOM 1017 O SER A 85 10.130 12.715 0.623 1.00 10.00 O ATOM 1018 CB SER A 85 10.678 15.997 0.054 1.00 10.00 C ATOM 1019 OG SER A 85 12.092 15.864 0.060 1.00 10.00 O ATOM 0 H SER A 85 11.663 14.052 1.914 1.00 10.00 H new ATOM 0 HA SER A 85 9.171 15.572 1.532 1.00 10.00 H new ATOM 0 HB2 SER A 85 10.291 15.760 -0.937 1.00 10.00 H new ATOM 0 HB3 SER A 85 10.406 17.031 0.264 1.00 10.00 H new ATOM 0 HG SER A 85 12.480 16.462 -0.613 1.00 10.00 H new ATOM 1025 N ASP A 86 8.469 13.896 -0.334 1.00 10.00 N ATOM 1026 CA ASP A 86 7.911 12.753 -1.042 1.00 10.00 C ATOM 1027 C ASP A 86 8.613 12.609 -2.380 1.00 10.00 C ATOM 1028 O ASP A 86 8.853 13.602 -3.065 1.00 10.00 O ATOM 1029 CB ASP A 86 6.403 12.919 -1.258 1.00 10.00 C ATOM 1030 CG ASP A 86 5.595 12.682 0.004 1.00 10.00 C ATOM 1031 OD1 ASP A 86 6.128 12.890 1.110 1.00 10.00 O ATOM 1032 OD2 ASP A 86 4.412 12.301 -0.103 1.00 10.00 O ATOM 0 H ASP A 86 7.960 14.768 -0.478 1.00 10.00 H new ATOM 0 HA ASP A 86 8.066 11.857 -0.441 1.00 10.00 H new ATOM 0 HB2 ASP A 86 6.203 13.925 -1.628 1.00 10.00 H new ATOM 0 HB3 ASP A 86 6.073 12.224 -2.030 1.00 10.00 H new ATOM 1037 N TYR A 87 8.962 11.388 -2.752 1.00 10.00 N ATOM 1038 CA TYR A 87 9.655 11.176 -4.014 1.00 10.00 C ATOM 1039 C TYR A 87 8.854 10.280 -4.946 1.00 10.00 C ATOM 1040 O TYR A 87 8.231 9.308 -4.514 1.00 10.00 O ATOM 1041 CB TYR A 87 11.045 10.584 -3.763 1.00 10.00 C ATOM 1042 CG TYR A 87 11.879 11.418 -2.817 1.00 10.00 C ATOM 1043 CD1 TYR A 87 12.374 12.656 -3.206 1.00 10.00 C ATOM 1044 CD2 TYR A 87 12.154 10.975 -1.532 1.00 10.00 C ATOM 1045 CE1 TYR A 87 13.123 13.428 -2.340 1.00 10.00 C ATOM 1046 CE2 TYR A 87 12.905 11.739 -0.662 1.00 10.00 C ATOM 1047 CZ TYR A 87 13.383 12.965 -1.068 1.00 10.00 C ATOM 1048 OH TYR A 87 14.125 13.732 -0.198 1.00 10.00 O ATOM 0 H TYR A 87 8.782 10.543 -2.211 1.00 10.00 H new ATOM 0 HA TYR A 87 9.766 12.144 -4.502 1.00 10.00 H new ATOM 0 HB2 TYR A 87 10.938 9.579 -3.355 1.00 10.00 H new ATOM 0 HB3 TYR A 87 11.570 10.488 -4.713 1.00 10.00 H new ATOM 0 HD1 TYR A 87 12.170 13.021 -4.202 1.00 10.00 H new ATOM 0 HD2 TYR A 87 11.775 10.017 -1.207 1.00 10.00 H new ATOM 0 HE1 TYR A 87 13.503 14.388 -2.657 1.00 10.00 H new ATOM 0 HE2 TYR A 87 13.117 11.377 0.333 1.00 10.00 H new ATOM 0 HH TYR A 87 13.615 14.531 0.051 1.00 10.00 H new ATOM 1058 N THR A 88 8.861 10.626 -6.223 1.00 10.00 N ATOM 1059 CA THR A 88 8.154 9.862 -7.233 1.00 10.00 C ATOM 1060 C THR A 88 8.969 8.639 -7.628 1.00 10.00 C ATOM 1061 O THR A 88 10.187 8.612 -7.426 1.00 10.00 O ATOM 1062 CB THR A 88 7.881 10.725 -8.475 1.00 10.00 C ATOM 1063 OG1 THR A 88 8.921 11.702 -8.623 1.00 10.00 O ATOM 1064 CG2 THR A 88 6.540 11.429 -8.362 1.00 10.00 C ATOM 0 H THR A 88 9.355 11.441 -6.586 1.00 10.00 H new ATOM 0 HA THR A 88 7.200 9.541 -6.814 1.00 10.00 H new ATOM 0 HB THR A 88 7.859 10.072 -9.348 1.00 10.00 H new ATOM 0 HG1 THR A 88 8.745 12.249 -9.417 1.00 10.00 H new ATOM 0 HG21 THR A 88 6.370 12.033 -9.253 1.00 10.00 H new ATOM 0 HG22 THR A 88 5.746 10.688 -8.270 1.00 10.00 H new ATOM 0 HG23 THR A 88 6.540 12.072 -7.482 1.00 10.00 H new ATOM 1072 N LEU A 89 8.304 7.629 -8.178 1.00 10.00 N ATOM 1073 CA LEU A 89 8.984 6.410 -8.591 1.00 10.00 C ATOM 1074 C LEU A 89 10.035 6.723 -9.648 1.00 10.00 C ATOM 1075 O LEU A 89 9.732 7.303 -10.691 1.00 10.00 O ATOM 1076 CB LEU A 89 7.986 5.379 -9.129 1.00 10.00 C ATOM 1077 CG LEU A 89 7.062 4.722 -8.091 1.00 10.00 C ATOM 1078 CD1 LEU A 89 7.555 4.949 -6.669 1.00 10.00 C ATOM 1079 CD2 LEU A 89 5.636 5.219 -8.260 1.00 10.00 C ATOM 0 H LEU A 89 7.298 7.631 -8.347 1.00 10.00 H new ATOM 0 HA LEU A 89 9.476 5.985 -7.716 1.00 10.00 H new ATOM 0 HB2 LEU A 89 7.365 5.864 -9.882 1.00 10.00 H new ATOM 0 HB3 LEU A 89 8.546 4.593 -9.636 1.00 10.00 H new ATOM 0 HG LEU A 89 7.078 3.646 -8.267 1.00 10.00 H new ATOM 0 HD11 LEU A 89 6.874 4.469 -5.967 1.00 10.00 H new ATOM 0 HD12 LEU A 89 8.552 4.522 -6.557 1.00 10.00 H new ATOM 0 HD13 LEU A 89 7.593 6.019 -6.463 1.00 10.00 H new ATOM 0 HD21 LEU A 89 4.995 4.744 -7.517 1.00 10.00 H new ATOM 0 HD22 LEU A 89 5.609 6.300 -8.124 1.00 10.00 H new ATOM 0 HD23 LEU A 89 5.280 4.970 -9.260 1.00 10.00 H new ATOM 1091 N ILE A 90 11.276 6.355 -9.355 1.00 10.00 N ATOM 1092 CA ILE A 90 12.391 6.593 -10.266 1.00 10.00 C ATOM 1093 C ILE A 90 12.214 5.852 -11.586 1.00 10.00 C ATOM 1094 O ILE A 90 12.678 6.310 -12.628 1.00 10.00 O ATOM 1095 CB ILE A 90 13.734 6.177 -9.637 1.00 10.00 C ATOM 1096 CG1 ILE A 90 13.577 4.878 -8.841 1.00 10.00 C ATOM 1097 CG2 ILE A 90 14.275 7.291 -8.753 1.00 10.00 C ATOM 1098 CD1 ILE A 90 14.891 4.234 -8.469 1.00 10.00 C ATOM 0 H ILE A 90 11.538 5.887 -8.487 1.00 10.00 H new ATOM 0 HA ILE A 90 12.401 7.666 -10.460 1.00 10.00 H new ATOM 0 HB ILE A 90 14.451 5.999 -10.439 1.00 10.00 H new ATOM 0 HG12 ILE A 90 13.013 5.085 -7.931 1.00 10.00 H new ATOM 0 HG13 ILE A 90 12.989 4.172 -9.427 1.00 10.00 H new ATOM 0 HG21 ILE A 90 15.224 6.981 -8.316 1.00 10.00 H new ATOM 0 HG22 ILE A 90 14.427 8.189 -9.352 1.00 10.00 H new ATOM 0 HG23 ILE A 90 13.561 7.503 -7.957 1.00 10.00 H new ATOM 0 HD11 ILE A 90 14.702 3.319 -7.907 1.00 10.00 H new ATOM 0 HD12 ILE A 90 15.448 3.995 -9.375 1.00 10.00 H new ATOM 0 HD13 ILE A 90 15.473 4.922 -7.856 1.00 10.00 H new ATOM 1110 N GLY A 91 11.550 4.707 -11.537 1.00 10.00 N ATOM 1111 CA GLY A 91 11.330 3.933 -12.743 1.00 10.00 C ATOM 1112 C GLY A 91 11.467 2.435 -12.525 1.00 10.00 C ATOM 1113 O GLY A 91 10.480 1.705 -12.629 1.00 10.00 O ATOM 0 H GLY A 91 11.160 4.300 -10.687 1.00 10.00 H new ATOM 0 HA2 GLY A 91 10.333 4.148 -13.129 1.00 10.00 H new ATOM 0 HA3 GLY A 91 12.042 4.250 -13.505 1.00 10.00 H new ATOM 1117 N PRO A 92 12.682 1.949 -12.195 1.00 10.00 N ATOM 1118 CA PRO A 92 12.949 0.515 -11.970 1.00 10.00 C ATOM 1119 C PRO A 92 12.138 -0.086 -10.821 1.00 10.00 C ATOM 1120 O PRO A 92 12.181 -1.292 -10.591 1.00 10.00 O ATOM 1121 CB PRO A 92 14.447 0.469 -11.639 1.00 10.00 C ATOM 1122 CG PRO A 92 14.793 1.856 -11.227 1.00 10.00 C ATOM 1123 CD PRO A 92 13.906 2.750 -12.039 1.00 10.00 C ATOM 0 HA PRO A 92 12.665 -0.073 -12.843 1.00 10.00 H new ATOM 0 HB2 PRO A 92 14.653 -0.243 -10.840 1.00 10.00 H new ATOM 0 HB3 PRO A 92 15.033 0.156 -12.503 1.00 10.00 H new ATOM 0 HG2 PRO A 92 14.625 2.001 -10.160 1.00 10.00 H new ATOM 0 HG3 PRO A 92 15.845 2.070 -11.416 1.00 10.00 H new ATOM 0 HD2 PRO A 92 13.709 3.693 -11.530 1.00 10.00 H new ATOM 0 HD3 PRO A 92 14.353 2.995 -13.002 1.00 10.00 H new ATOM 1131 N VAL A 93 11.399 0.754 -10.108 1.00 10.00 N ATOM 1132 CA VAL A 93 10.576 0.292 -8.997 1.00 10.00 C ATOM 1133 C VAL A 93 9.487 -0.641 -9.511 1.00 10.00 C ATOM 1134 O VAL A 93 9.165 -1.650 -8.888 1.00 10.00 O ATOM 1135 CB VAL A 93 9.919 1.463 -8.238 1.00 10.00 C ATOM 1136 CG1 VAL A 93 9.644 1.070 -6.798 1.00 10.00 C ATOM 1137 CG2 VAL A 93 10.792 2.706 -8.296 1.00 10.00 C ATOM 0 H VAL A 93 11.352 1.759 -10.279 1.00 10.00 H new ATOM 0 HA VAL A 93 11.232 -0.236 -8.305 1.00 10.00 H new ATOM 0 HB VAL A 93 8.971 1.695 -8.723 1.00 10.00 H new ATOM 0 HG11 VAL A 93 9.180 1.906 -6.275 1.00 10.00 H new ATOM 0 HG12 VAL A 93 8.973 0.212 -6.777 1.00 10.00 H new ATOM 0 HG13 VAL A 93 10.581 0.809 -6.307 1.00 10.00 H new ATOM 0 HG21 VAL A 93 10.306 3.517 -7.754 1.00 10.00 H new ATOM 0 HG22 VAL A 93 11.759 2.493 -7.841 1.00 10.00 H new ATOM 0 HG23 VAL A 93 10.937 3.000 -9.335 1.00 10.00 H new ATOM 1147 N SER A 94 8.929 -0.297 -10.664 1.00 10.00 N ATOM 1148 CA SER A 94 7.888 -1.105 -11.282 1.00 10.00 C ATOM 1149 C SER A 94 8.455 -2.411 -11.847 1.00 10.00 C ATOM 1150 O SER A 94 7.706 -3.280 -12.300 1.00 10.00 O ATOM 1151 CB SER A 94 7.194 -0.305 -12.380 1.00 10.00 C ATOM 1152 OG SER A 94 6.533 0.825 -11.840 1.00 10.00 O ATOM 0 H SER A 94 9.181 0.539 -11.191 1.00 10.00 H new ATOM 0 HA SER A 94 7.160 -1.367 -10.515 1.00 10.00 H new ATOM 0 HB2 SER A 94 7.927 0.016 -13.120 1.00 10.00 H new ATOM 0 HB3 SER A 94 6.475 -0.939 -12.898 1.00 10.00 H new ATOM 0 HG SER A 94 5.678 0.548 -11.450 1.00 10.00 H new ATOM 1158 N ALA A 95 9.774 -2.547 -11.808 1.00 10.00 N ATOM 1159 CA ALA A 95 10.434 -3.745 -12.304 1.00 10.00 C ATOM 1160 C ALA A 95 10.666 -4.727 -11.163 1.00 10.00 C ATOM 1161 O ALA A 95 11.068 -5.870 -11.376 1.00 10.00 O ATOM 1162 CB ALA A 95 11.751 -3.394 -12.976 1.00 10.00 C ATOM 0 H ALA A 95 10.408 -1.840 -11.437 1.00 10.00 H new ATOM 0 HA ALA A 95 9.787 -4.214 -13.045 1.00 10.00 H new ATOM 0 HB1 ALA A 95 12.228 -4.304 -13.340 1.00 10.00 H new ATOM 0 HB2 ALA A 95 11.564 -2.723 -13.814 1.00 10.00 H new ATOM 0 HB3 ALA A 95 12.407 -2.903 -12.257 1.00 10.00 H new ATOM 1168 N ILE A 96 10.406 -4.272 -9.948 1.00 10.00 N ATOM 1169 CA ILE A 96 10.574 -5.099 -8.768 1.00 10.00 C ATOM 1170 C ILE A 96 9.256 -5.780 -8.445 1.00 10.00 C ATOM 1171 O ILE A 96 8.294 -5.129 -8.050 1.00 10.00 O ATOM 1172 CB ILE A 96 11.042 -4.264 -7.563 1.00 10.00 C ATOM 1173 CG1 ILE A 96 12.342 -3.545 -7.915 1.00 10.00 C ATOM 1174 CG2 ILE A 96 11.225 -5.146 -6.331 1.00 10.00 C ATOM 1175 CD1 ILE A 96 12.677 -2.412 -6.979 1.00 10.00 C ATOM 0 H ILE A 96 10.075 -3.327 -9.754 1.00 10.00 H new ATOM 0 HA ILE A 96 11.340 -5.847 -8.973 1.00 10.00 H new ATOM 0 HB ILE A 96 10.279 -3.522 -7.327 1.00 10.00 H new ATOM 0 HG12 ILE A 96 13.160 -4.266 -7.907 1.00 10.00 H new ATOM 0 HG13 ILE A 96 12.269 -3.157 -8.931 1.00 10.00 H new ATOM 0 HG21 ILE A 96 11.556 -4.534 -5.492 1.00 10.00 H new ATOM 0 HG22 ILE A 96 10.277 -5.623 -6.081 1.00 10.00 H new ATOM 0 HG23 ILE A 96 11.973 -5.911 -6.539 1.00 10.00 H new ATOM 0 HD11 ILE A 96 13.613 -1.948 -7.290 1.00 10.00 H new ATOM 0 HD12 ILE A 96 11.878 -1.671 -7.004 1.00 10.00 H new ATOM 0 HD13 ILE A 96 12.783 -2.797 -5.965 1.00 10.00 H new ATOM 1187 N SER A 97 9.207 -7.083 -8.657 1.00 10.00 N ATOM 1188 CA SER A 97 7.994 -7.850 -8.409 1.00 10.00 C ATOM 1189 C SER A 97 8.296 -9.102 -7.594 1.00 10.00 C ATOM 1190 O SER A 97 8.698 -10.134 -8.141 1.00 10.00 O ATOM 1191 CB SER A 97 7.348 -8.227 -9.740 1.00 10.00 C ATOM 1192 OG SER A 97 7.710 -7.301 -10.748 1.00 10.00 O ATOM 0 H SER A 97 9.993 -7.635 -9.001 1.00 10.00 H new ATOM 0 HA SER A 97 7.303 -7.234 -7.833 1.00 10.00 H new ATOM 0 HB2 SER A 97 7.660 -9.230 -10.031 1.00 10.00 H new ATOM 0 HB3 SER A 97 6.264 -8.249 -9.631 1.00 10.00 H new ATOM 0 HG SER A 97 7.289 -7.558 -11.595 1.00 10.00 H new ATOM 1198 N THR A 98 8.122 -8.994 -6.287 1.00 10.00 N ATOM 1199 CA THR A 98 8.365 -10.105 -5.381 1.00 10.00 C ATOM 1200 C THR A 98 7.192 -10.294 -4.427 1.00 10.00 C ATOM 1201 O THR A 98 6.428 -9.363 -4.170 1.00 10.00 O ATOM 1202 CB THR A 98 9.647 -9.893 -4.553 1.00 10.00 C ATOM 1203 OG1 THR A 98 9.862 -11.015 -3.686 1.00 10.00 O ATOM 1204 CG2 THR A 98 9.541 -8.632 -3.717 1.00 10.00 C ATOM 0 H THR A 98 7.810 -8.139 -5.826 1.00 10.00 H new ATOM 0 HA THR A 98 8.485 -10.995 -5.999 1.00 10.00 H new ATOM 0 HB THR A 98 10.485 -9.794 -5.242 1.00 10.00 H new ATOM 0 HG1 THR A 98 10.814 -11.246 -3.680 1.00 10.00 H new ATOM 0 HG21 THR A 98 10.456 -8.500 -3.140 1.00 10.00 H new ATOM 0 HG22 THR A 98 9.398 -7.772 -4.372 1.00 10.00 H new ATOM 0 HG23 THR A 98 8.693 -8.716 -3.038 1.00 10.00 H new ATOM 1212 N THR A 99 7.050 -11.501 -3.908 1.00 10.00 N ATOM 1213 CA THR A 99 5.991 -11.794 -2.969 1.00 10.00 C ATOM 1214 C THR A 99 6.467 -11.548 -1.540 1.00 10.00 C ATOM 1215 O THR A 99 5.677 -11.545 -0.599 1.00 10.00 O ATOM 1216 CB THR A 99 5.524 -13.248 -3.110 1.00 10.00 C ATOM 1217 OG1 THR A 99 6.635 -14.082 -3.469 1.00 10.00 O ATOM 1218 CG2 THR A 99 4.425 -13.374 -4.155 1.00 10.00 C ATOM 0 H THR A 99 7.657 -12.292 -4.123 1.00 10.00 H new ATOM 0 HA THR A 99 5.153 -11.133 -3.189 1.00 10.00 H new ATOM 0 HB THR A 99 5.119 -13.570 -2.151 1.00 10.00 H new ATOM 0 HG1 THR A 99 6.333 -15.010 -3.556 1.00 10.00 H new ATOM 0 HG21 THR A 99 4.114 -14.416 -4.233 1.00 10.00 H new ATOM 0 HG22 THR A 99 3.572 -12.762 -3.862 1.00 10.00 H new ATOM 0 HG23 THR A 99 4.800 -13.034 -5.120 1.00 10.00 H new ATOM 1226 N SER A 100 7.767 -11.337 -1.386 1.00 10.00 N ATOM 1227 CA SER A 100 8.346 -11.089 -0.080 1.00 10.00 C ATOM 1228 C SER A 100 8.487 -9.593 0.161 1.00 10.00 C ATOM 1229 O SER A 100 9.197 -8.904 -0.573 1.00 10.00 O ATOM 1230 CB SER A 100 9.712 -11.771 0.027 1.00 10.00 C ATOM 1231 OG SER A 100 10.383 -11.413 1.227 1.00 10.00 O ATOM 0 H SER A 100 8.439 -11.333 -2.153 1.00 10.00 H new ATOM 0 HA SER A 100 7.684 -11.503 0.680 1.00 10.00 H new ATOM 0 HB2 SER A 100 9.583 -12.853 -0.010 1.00 10.00 H new ATOM 0 HB3 SER A 100 10.326 -11.494 -0.830 1.00 10.00 H new ATOM 0 HG SER A 100 11.251 -11.867 1.264 1.00 10.00 H new ATOM 1237 N VAL A 101 7.809 -9.090 1.186 1.00 10.00 N ATOM 1238 CA VAL A 101 7.876 -7.674 1.519 1.00 10.00 C ATOM 1239 C VAL A 101 9.296 -7.295 1.941 1.00 10.00 C ATOM 1240 O VAL A 101 9.749 -6.171 1.714 1.00 10.00 O ATOM 1241 CB VAL A 101 6.861 -7.291 2.626 1.00 10.00 C ATOM 1242 CG1 VAL A 101 7.214 -7.931 3.960 1.00 10.00 C ATOM 1243 CG2 VAL A 101 6.757 -5.779 2.762 1.00 10.00 C ATOM 0 H VAL A 101 7.208 -9.641 1.799 1.00 10.00 H new ATOM 0 HA VAL A 101 7.608 -7.113 0.624 1.00 10.00 H new ATOM 0 HB VAL A 101 5.887 -7.679 2.326 1.00 10.00 H new ATOM 0 HG11 VAL A 101 6.479 -7.638 4.710 1.00 10.00 H new ATOM 0 HG12 VAL A 101 7.213 -9.016 3.855 1.00 10.00 H new ATOM 0 HG13 VAL A 101 8.204 -7.598 4.273 1.00 10.00 H new ATOM 0 HG21 VAL A 101 6.039 -5.533 3.544 1.00 10.00 H new ATOM 0 HG22 VAL A 101 7.733 -5.369 3.023 1.00 10.00 H new ATOM 0 HG23 VAL A 101 6.424 -5.351 1.817 1.00 10.00 H new ATOM 1253 N GLN A 102 10.001 -8.258 2.527 1.00 10.00 N ATOM 1254 CA GLN A 102 11.370 -8.043 2.963 1.00 10.00 C ATOM 1255 C GLN A 102 12.273 -7.906 1.749 1.00 10.00 C ATOM 1256 O GLN A 102 13.118 -7.013 1.686 1.00 10.00 O ATOM 1257 CB GLN A 102 11.842 -9.204 3.834 1.00 10.00 C ATOM 1258 CG GLN A 102 10.960 -9.467 5.041 1.00 10.00 C ATOM 1259 CD GLN A 102 11.517 -10.560 5.927 1.00 10.00 C ATOM 1260 OE1 GLN A 102 12.733 -10.708 6.060 1.00 10.00 O ATOM 1261 NE2 GLN A 102 10.637 -11.337 6.534 1.00 10.00 N ATOM 0 H GLN A 102 9.643 -9.195 2.710 1.00 10.00 H new ATOM 0 HA GLN A 102 11.413 -7.128 3.554 1.00 10.00 H new ATOM 0 HB2 GLN A 102 11.886 -10.107 3.225 1.00 10.00 H new ATOM 0 HB3 GLN A 102 12.857 -9.000 4.176 1.00 10.00 H new ATOM 0 HG2 GLN A 102 10.856 -8.549 5.620 1.00 10.00 H new ATOM 0 HG3 GLN A 102 9.961 -9.747 4.705 1.00 10.00 H new ATOM 0 HE21 GLN A 102 9.638 -11.181 6.397 1.00 10.00 H new ATOM 0 HE22 GLN A 102 10.956 -12.093 7.140 1.00 10.00 H new ATOM 1270 N GLN A 103 12.074 -8.790 0.779 1.00 10.00 N ATOM 1271 CA GLN A 103 12.855 -8.768 -0.447 1.00 10.00 C ATOM 1272 C GLN A 103 12.601 -7.469 -1.199 1.00 10.00 C ATOM 1273 O GLN A 103 13.527 -6.854 -1.720 1.00 10.00 O ATOM 1274 CB GLN A 103 12.510 -9.972 -1.321 1.00 10.00 C ATOM 1275 CG GLN A 103 13.336 -10.064 -2.593 1.00 10.00 C ATOM 1276 CD GLN A 103 13.278 -11.442 -3.222 1.00 10.00 C ATOM 1277 OE1 GLN A 103 12.269 -12.144 -3.125 1.00 10.00 O ATOM 1278 NE2 GLN A 103 14.362 -11.844 -3.863 1.00 10.00 N ATOM 0 H GLN A 103 11.376 -9.532 0.820 1.00 10.00 H new ATOM 0 HA GLN A 103 13.914 -8.825 -0.193 1.00 10.00 H new ATOM 0 HB2 GLN A 103 12.652 -10.883 -0.740 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.454 -9.925 -1.587 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.978 -9.325 -3.310 1.00 10.00 H new ATOM 0 HG3 GLN A 103 14.373 -9.814 -2.368 1.00 10.00 H new ATOM 0 HE21 GLN A 103 15.177 -11.233 -3.921 1.00 10.00 H new ATOM 0 HE22 GLN A 103 14.384 -12.765 -4.300 1.00 10.00 H new ATOM 1287 N ALA A 104 11.338 -7.057 -1.232 1.00 10.00 N ATOM 1288 CA ALA A 104 10.948 -5.820 -1.901 1.00 10.00 C ATOM 1289 C ALA A 104 11.707 -4.634 -1.320 1.00 10.00 C ATOM 1290 O ALA A 104 12.296 -3.842 -2.056 1.00 10.00 O ATOM 1291 CB ALA A 104 9.447 -5.601 -1.783 1.00 10.00 C ATOM 0 H ALA A 104 10.564 -7.563 -0.802 1.00 10.00 H new ATOM 0 HA ALA A 104 11.203 -5.906 -2.957 1.00 10.00 H new ATOM 0 HB1 ALA A 104 9.174 -4.674 -2.287 1.00 10.00 H new ATOM 0 HB2 ALA A 104 8.920 -6.435 -2.246 1.00 10.00 H new ATOM 0 HB3 ALA A 104 9.170 -5.537 -0.731 1.00 10.00 H new ATOM 1297 N ALA A 105 11.709 -4.530 0.006 1.00 10.00 N ATOM 1298 CA ALA A 105 12.408 -3.450 0.688 1.00 10.00 C ATOM 1299 C ALA A 105 13.904 -3.521 0.406 1.00 10.00 C ATOM 1300 O ALA A 105 14.568 -2.498 0.237 1.00 10.00 O ATOM 1301 CB ALA A 105 12.139 -3.511 2.182 1.00 10.00 C ATOM 0 H ALA A 105 11.233 -5.183 0.629 1.00 10.00 H new ATOM 0 HA ALA A 105 12.035 -2.498 0.309 1.00 10.00 H new ATOM 0 HB1 ALA A 105 12.667 -2.698 2.680 1.00 10.00 H new ATOM 0 HB2 ALA A 105 11.069 -3.413 2.363 1.00 10.00 H new ATOM 0 HB3 ALA A 105 12.488 -4.466 2.576 1.00 10.00 H new ATOM 1307 N THR A 106 14.418 -4.739 0.338 1.00 10.00 N ATOM 1308 CA THR A 106 15.825 -4.971 0.066 1.00 10.00 C ATOM 1309 C THR A 106 16.185 -4.494 -1.340 1.00 10.00 C ATOM 1310 O THR A 106 17.158 -3.758 -1.530 1.00 10.00 O ATOM 1311 CB THR A 106 16.163 -6.469 0.207 1.00 10.00 C ATOM 1312 OG1 THR A 106 15.817 -6.924 1.523 1.00 10.00 O ATOM 1313 CG2 THR A 106 17.638 -6.733 -0.057 1.00 10.00 C ATOM 0 H THR A 106 13.873 -5.591 0.470 1.00 10.00 H new ATOM 0 HA THR A 106 16.408 -4.405 0.793 1.00 10.00 H new ATOM 0 HB THR A 106 15.583 -7.017 -0.536 1.00 10.00 H new ATOM 0 HG1 THR A 106 14.846 -6.873 1.642 1.00 10.00 H new ATOM 0 HG21 THR A 106 17.842 -7.798 0.051 1.00 10.00 H new ATOM 0 HG22 THR A 106 17.889 -6.416 -1.069 1.00 10.00 H new ATOM 0 HG23 THR A 106 18.241 -6.174 0.658 1.00 10.00 H new ATOM 1321 N GLU A 107 15.377 -4.902 -2.313 1.00 10.00 N ATOM 1322 CA GLU A 107 15.590 -4.530 -3.706 1.00 10.00 C ATOM 1323 C GLU A 107 15.434 -3.026 -3.898 1.00 10.00 C ATOM 1324 O GLU A 107 16.199 -2.401 -4.637 1.00 10.00 O ATOM 1325 CB GLU A 107 14.611 -5.275 -4.609 1.00 10.00 C ATOM 1326 CG GLU A 107 14.838 -6.777 -4.631 1.00 10.00 C ATOM 1327 CD GLU A 107 14.486 -7.396 -5.966 1.00 10.00 C ATOM 1328 OE1 GLU A 107 15.250 -7.192 -6.935 1.00 10.00 O ATOM 1329 OE2 GLU A 107 13.456 -8.097 -6.058 1.00 10.00 O ATOM 0 H GLU A 107 14.562 -5.496 -2.160 1.00 10.00 H new ATOM 0 HA GLU A 107 16.608 -4.808 -3.978 1.00 10.00 H new ATOM 0 HB2 GLU A 107 13.593 -5.073 -4.275 1.00 10.00 H new ATOM 0 HB3 GLU A 107 14.696 -4.887 -5.624 1.00 10.00 H new ATOM 0 HG2 GLU A 107 15.883 -6.987 -4.401 1.00 10.00 H new ATOM 0 HG3 GLU A 107 14.239 -7.243 -3.849 1.00 10.00 H new ATOM 1336 N LEU A 108 14.438 -2.451 -3.233 1.00 10.00 N ATOM 1337 CA LEU A 108 14.199 -1.018 -3.317 1.00 10.00 C ATOM 1338 C LEU A 108 15.415 -0.261 -2.807 1.00 10.00 C ATOM 1339 O LEU A 108 15.972 0.563 -3.514 1.00 10.00 O ATOM 1340 CB LEU A 108 12.963 -0.618 -2.507 1.00 10.00 C ATOM 1341 CG LEU A 108 11.712 -0.285 -3.330 1.00 10.00 C ATOM 1342 CD1 LEU A 108 11.131 -1.537 -3.965 1.00 10.00 C ATOM 1343 CD2 LEU A 108 10.669 0.395 -2.460 1.00 10.00 C ATOM 0 H LEU A 108 13.786 -2.955 -2.632 1.00 10.00 H new ATOM 0 HA LEU A 108 14.022 -0.762 -4.362 1.00 10.00 H new ATOM 0 HB2 LEU A 108 12.720 -1.431 -1.823 1.00 10.00 H new ATOM 0 HB3 LEU A 108 13.216 0.249 -1.896 1.00 10.00 H new ATOM 0 HG LEU A 108 12.004 0.399 -4.127 1.00 10.00 H new ATOM 0 HD11 LEU A 108 10.245 -1.274 -4.543 1.00 10.00 H new ATOM 0 HD12 LEU A 108 11.873 -1.989 -4.623 1.00 10.00 H new ATOM 0 HD13 LEU A 108 10.858 -2.247 -3.185 1.00 10.00 H new ATOM 0 HD21 LEU A 108 9.788 0.624 -3.060 1.00 10.00 H new ATOM 0 HD22 LEU A 108 10.388 -0.269 -1.642 1.00 10.00 H new ATOM 0 HD23 LEU A 108 11.081 1.318 -2.053 1.00 10.00 H new ATOM 1355 N SER A 109 15.850 -0.578 -1.592 1.00 10.00 N ATOM 1356 CA SER A 109 17.002 0.082 -0.989 1.00 10.00 C ATOM 1357 C SER A 109 18.237 -0.028 -1.875 1.00 10.00 C ATOM 1358 O SER A 109 19.083 0.865 -1.883 1.00 10.00 O ATOM 1359 CB SER A 109 17.287 -0.516 0.387 1.00 10.00 C ATOM 1360 OG SER A 109 16.129 -0.473 1.195 1.00 10.00 O ATOM 0 H SER A 109 15.420 -1.291 -1.003 1.00 10.00 H new ATOM 0 HA SER A 109 16.763 1.140 -0.881 1.00 10.00 H new ATOM 0 HB2 SER A 109 17.624 -1.547 0.279 1.00 10.00 H new ATOM 0 HB3 SER A 109 18.095 0.035 0.869 1.00 10.00 H new ATOM 0 HG SER A 109 15.558 -1.242 0.989 1.00 10.00 H new ATOM 1366 N ALA A 110 18.330 -1.115 -2.629 1.00 10.00 N ATOM 1367 CA ALA A 110 19.461 -1.321 -3.515 1.00 10.00 C ATOM 1368 C ALA A 110 19.500 -0.262 -4.610 1.00 10.00 C ATOM 1369 O ALA A 110 20.559 0.275 -4.928 1.00 10.00 O ATOM 1370 CB ALA A 110 19.411 -2.712 -4.122 1.00 10.00 C ATOM 0 H ALA A 110 17.637 -1.864 -2.643 1.00 10.00 H new ATOM 0 HA ALA A 110 20.373 -1.229 -2.926 1.00 10.00 H new ATOM 0 HB1 ALA A 110 20.266 -2.851 -4.784 1.00 10.00 H new ATOM 0 HB2 ALA A 110 19.443 -3.457 -3.327 1.00 10.00 H new ATOM 0 HB3 ALA A 110 18.489 -2.828 -4.691 1.00 10.00 H new ATOM 1376 N VAL A 111 18.344 0.022 -5.194 1.00 10.00 N ATOM 1377 CA VAL A 111 18.249 1.011 -6.262 1.00 10.00 C ATOM 1378 C VAL A 111 17.970 2.423 -5.715 1.00 10.00 C ATOM 1379 O VAL A 111 18.241 3.423 -6.376 1.00 10.00 O ATOM 1380 CB VAL A 111 17.164 0.598 -7.289 1.00 10.00 C ATOM 1381 CG1 VAL A 111 15.766 0.728 -6.714 1.00 10.00 C ATOM 1382 CG2 VAL A 111 17.297 1.401 -8.567 1.00 10.00 C ATOM 0 H VAL A 111 17.458 -0.418 -4.947 1.00 10.00 H new ATOM 0 HA VAL A 111 19.215 1.043 -6.765 1.00 10.00 H new ATOM 0 HB VAL A 111 17.323 -0.454 -7.525 1.00 10.00 H new ATOM 0 HG11 VAL A 111 15.035 0.429 -7.465 1.00 10.00 H new ATOM 0 HG12 VAL A 111 15.671 0.085 -5.839 1.00 10.00 H new ATOM 0 HG13 VAL A 111 15.586 1.763 -6.424 1.00 10.00 H new ATOM 0 HG21 VAL A 111 16.525 1.093 -9.272 1.00 10.00 H new ATOM 0 HG22 VAL A 111 17.183 2.462 -8.344 1.00 10.00 H new ATOM 0 HG23 VAL A 111 18.279 1.226 -9.006 1.00 10.00 H new ATOM 1392 N TYR A 112 17.425 2.487 -4.507 1.00 10.00 N ATOM 1393 CA TYR A 112 17.090 3.759 -3.866 1.00 10.00 C ATOM 1394 C TYR A 112 18.293 4.404 -3.188 1.00 10.00 C ATOM 1395 O TYR A 112 18.311 5.620 -2.980 1.00 10.00 O ATOM 1396 CB TYR A 112 15.965 3.561 -2.848 1.00 10.00 C ATOM 1397 CG TYR A 112 14.584 3.653 -3.457 1.00 10.00 C ATOM 1398 CD1 TYR A 112 14.221 2.837 -4.517 1.00 10.00 C ATOM 1399 CD2 TYR A 112 13.647 4.552 -2.975 1.00 10.00 C ATOM 1400 CE1 TYR A 112 12.969 2.914 -5.085 1.00 10.00 C ATOM 1401 CE2 TYR A 112 12.390 4.639 -3.538 1.00 10.00 C ATOM 1402 CZ TYR A 112 12.055 3.817 -4.593 1.00 10.00 C ATOM 1403 OH TYR A 112 10.805 3.907 -5.158 1.00 10.00 O ATOM 0 H TYR A 112 17.203 1.666 -3.944 1.00 10.00 H new ATOM 0 HA TYR A 112 16.758 4.434 -4.655 1.00 10.00 H new ATOM 0 HB2 TYR A 112 16.081 2.587 -2.374 1.00 10.00 H new ATOM 0 HB3 TYR A 112 16.059 4.311 -2.063 1.00 10.00 H new ATOM 0 HD1 TYR A 112 14.935 2.126 -4.906 1.00 10.00 H new ATOM 0 HD2 TYR A 112 13.904 5.195 -2.146 1.00 10.00 H new ATOM 0 HE1 TYR A 112 12.706 2.270 -5.911 1.00 10.00 H new ATOM 0 HE2 TYR A 112 11.672 5.348 -3.154 1.00 10.00 H new ATOM 0 HH TYR A 112 10.603 4.845 -5.358 1.00 10.00 H new ATOM 1413 N ALA A 113 19.275 3.592 -2.807 1.00 10.00 N ATOM 1414 CA ALA A 113 20.476 4.092 -2.137 1.00 10.00 C ATOM 1415 C ALA A 113 21.142 5.227 -2.919 1.00 10.00 C ATOM 1416 O ALA A 113 21.696 6.149 -2.326 1.00 10.00 O ATOM 1417 CB ALA A 113 21.468 2.961 -1.900 1.00 10.00 C ATOM 0 H ALA A 113 19.264 2.582 -2.950 1.00 10.00 H new ATOM 0 HA ALA A 113 20.162 4.498 -1.175 1.00 10.00 H new ATOM 0 HB1 ALA A 113 22.354 3.353 -1.401 1.00 10.00 H new ATOM 0 HB2 ALA A 113 21.007 2.198 -1.274 1.00 10.00 H new ATOM 0 HB3 ALA A 113 21.754 2.522 -2.856 1.00 10.00 H new ATOM 1423 N ALA A 114 21.069 5.167 -4.248 1.00 10.00 N ATOM 1424 CA ALA A 114 21.661 6.199 -5.096 1.00 10.00 C ATOM 1425 C ALA A 114 20.959 7.548 -4.907 1.00 10.00 C ATOM 1426 O ALA A 114 21.550 8.606 -5.139 1.00 10.00 O ATOM 1427 CB ALA A 114 21.612 5.779 -6.557 1.00 10.00 C ATOM 0 H ALA A 114 20.606 4.416 -4.760 1.00 10.00 H new ATOM 0 HA ALA A 114 22.703 6.318 -4.797 1.00 10.00 H new ATOM 0 HB1 ALA A 114 22.057 6.559 -7.175 1.00 10.00 H new ATOM 0 HB2 ALA A 114 22.168 4.851 -6.688 1.00 10.00 H new ATOM 0 HB3 ALA A 114 20.575 5.626 -6.857 1.00 10.00 H new ATOM 1433 N GLN A 115 19.702 7.505 -4.491 1.00 10.00 N ATOM 1434 CA GLN A 115 18.928 8.721 -4.264 1.00 10.00 C ATOM 1435 C GLN A 115 19.064 9.151 -2.812 1.00 10.00 C ATOM 1436 O GLN A 115 18.819 10.308 -2.463 1.00 10.00 O ATOM 1437 CB GLN A 115 17.449 8.506 -4.599 1.00 10.00 C ATOM 1438 CG GLN A 115 17.165 8.324 -6.083 1.00 10.00 C ATOM 1439 CD GLN A 115 17.508 6.935 -6.575 1.00 10.00 C ATOM 1440 OE1 GLN A 115 16.609 5.993 -6.356 1.00 10.00 O flip ATOM 1441 NE2 GLN A 115 18.577 6.707 -7.135 1.00 10.00 N flip ATOM 0 H GLN A 115 19.194 6.641 -4.303 1.00 10.00 H new ATOM 0 HA GLN A 115 19.318 9.500 -4.919 1.00 10.00 H new ATOM 0 HB2 GLN A 115 17.090 7.628 -4.062 1.00 10.00 H new ATOM 0 HB3 GLN A 115 16.878 9.359 -4.233 1.00 10.00 H new ATOM 0 HG2 GLN A 115 16.111 8.523 -6.274 1.00 10.00 H new ATOM 0 HG3 GLN A 115 17.736 9.058 -6.651 1.00 10.00 H new ATOM 0 HE21 GLN A 115 19.245 7.463 -7.285 1.00 10.00 H new ATOM 0 HE22 GLN A 115 18.797 5.762 -7.450 1.00 10.00 H new ATOM 1450 N GLY A 116 19.459 8.207 -1.973 1.00 10.00 N ATOM 1451 CA GLY A 116 19.621 8.483 -0.563 1.00 10.00 C ATOM 1452 C GLY A 116 18.451 7.992 0.259 1.00 10.00 C ATOM 1453 O GLY A 116 18.137 8.559 1.301 1.00 10.00 O ATOM 0 H GLY A 116 19.672 7.248 -2.247 1.00 10.00 H new ATOM 0 HA2 GLY A 116 20.536 8.010 -0.206 1.00 10.00 H new ATOM 0 HA3 GLY A 116 19.739 9.557 -0.417 1.00 10.00 H new ATOM 1457 N VAL A 117 17.816 6.924 -0.200 1.00 10.00 N ATOM 1458 CA VAL A 117 16.668 6.365 0.494 1.00 10.00 C ATOM 1459 C VAL A 117 16.880 4.881 0.782 1.00 10.00 C ATOM 1460 O VAL A 117 17.437 4.152 -0.037 1.00 10.00 O ATOM 1461 CB VAL A 117 15.376 6.540 -0.336 1.00 10.00 C ATOM 1462 CG1 VAL A 117 14.178 5.915 0.368 1.00 10.00 C ATOM 1463 CG2 VAL A 117 15.108 8.012 -0.622 1.00 10.00 C ATOM 0 H VAL A 117 18.078 6.427 -1.052 1.00 10.00 H new ATOM 0 HA VAL A 117 16.562 6.905 1.435 1.00 10.00 H new ATOM 0 HB VAL A 117 15.524 6.023 -1.284 1.00 10.00 H new ATOM 0 HG11 VAL A 117 13.285 6.055 -0.241 1.00 10.00 H new ATOM 0 HG12 VAL A 117 14.356 4.849 0.512 1.00 10.00 H new ATOM 0 HG13 VAL A 117 14.035 6.393 1.337 1.00 10.00 H new ATOM 0 HG21 VAL A 117 14.194 8.108 -1.207 1.00 10.00 H new ATOM 0 HG22 VAL A 117 14.995 8.551 0.319 1.00 10.00 H new ATOM 0 HG23 VAL A 117 15.943 8.432 -1.182 1.00 10.00 H new ATOM 1473 N SER A 118 16.464 4.451 1.960 1.00 10.00 N ATOM 1474 CA SER A 118 16.577 3.061 2.356 1.00 10.00 C ATOM 1475 C SER A 118 15.291 2.613 3.045 1.00 10.00 C ATOM 1476 O SER A 118 14.775 3.307 3.920 1.00 10.00 O ATOM 1477 CB SER A 118 17.792 2.877 3.263 1.00 10.00 C ATOM 1478 OG SER A 118 18.980 2.839 2.489 1.00 10.00 O ATOM 0 H SER A 118 16.040 5.054 2.665 1.00 10.00 H new ATOM 0 HA SER A 118 16.720 2.438 1.473 1.00 10.00 H new ATOM 0 HB2 SER A 118 17.844 3.694 3.983 1.00 10.00 H new ATOM 0 HB3 SER A 118 17.692 1.954 3.834 1.00 10.00 H new ATOM 0 HG SER A 118 18.790 3.159 1.582 1.00 10.00 H new ATOM 1484 N VAL A 119 14.768 1.465 2.629 1.00 10.00 N ATOM 1485 CA VAL A 119 13.528 0.937 3.183 1.00 10.00 C ATOM 1486 C VAL A 119 13.733 -0.463 3.758 1.00 10.00 C ATOM 1487 O VAL A 119 14.457 -1.281 3.192 1.00 10.00 O ATOM 1488 CB VAL A 119 12.404 0.898 2.119 1.00 10.00 C ATOM 1489 CG1 VAL A 119 11.883 2.295 1.840 1.00 10.00 C ATOM 1490 CG2 VAL A 119 12.894 0.266 0.825 1.00 10.00 C ATOM 0 H VAL A 119 15.187 0.880 1.906 1.00 10.00 H new ATOM 0 HA VAL A 119 13.227 1.610 3.986 1.00 10.00 H new ATOM 0 HB VAL A 119 11.594 0.288 2.518 1.00 10.00 H new ATOM 0 HG11 VAL A 119 11.094 2.246 1.090 1.00 10.00 H new ATOM 0 HG12 VAL A 119 11.484 2.725 2.759 1.00 10.00 H new ATOM 0 HG13 VAL A 119 12.696 2.920 1.471 1.00 10.00 H new ATOM 0 HG21 VAL A 119 12.083 0.252 0.097 1.00 10.00 H new ATOM 0 HG22 VAL A 119 13.727 0.847 0.429 1.00 10.00 H new ATOM 0 HG23 VAL A 119 13.223 -0.755 1.020 1.00 10.00 H new ATOM 1500 N SER A 120 13.112 -0.731 4.891 1.00 10.00 N ATOM 1501 CA SER A 120 13.226 -2.028 5.537 1.00 10.00 C ATOM 1502 C SER A 120 11.912 -2.408 6.207 1.00 10.00 C ATOM 1503 O SER A 120 11.046 -1.561 6.407 1.00 10.00 O ATOM 1504 CB SER A 120 14.352 -1.996 6.572 1.00 10.00 C ATOM 1505 OG SER A 120 15.543 -1.466 6.012 1.00 10.00 O ATOM 0 H SER A 120 12.520 -0.065 5.387 1.00 10.00 H new ATOM 0 HA SER A 120 13.457 -2.777 4.779 1.00 10.00 H new ATOM 0 HB2 SER A 120 14.048 -1.392 7.427 1.00 10.00 H new ATOM 0 HB3 SER A 120 14.538 -3.004 6.944 1.00 10.00 H new ATOM 0 HG SER A 120 16.248 -1.454 6.693 1.00 10.00 H new ATOM 1511 N VAL A 121 11.764 -3.682 6.536 1.00 10.00 N ATOM 1512 CA VAL A 121 10.563 -4.169 7.195 1.00 10.00 C ATOM 1513 C VAL A 121 10.923 -4.700 8.574 1.00 10.00 C ATOM 1514 O VAL A 121 11.655 -5.682 8.691 1.00 10.00 O ATOM 1515 CB VAL A 121 9.879 -5.298 6.399 1.00 10.00 C ATOM 1516 CG1 VAL A 121 8.441 -5.487 6.861 1.00 10.00 C ATOM 1517 CG2 VAL A 121 9.950 -5.040 4.902 1.00 10.00 C ATOM 0 H VAL A 121 12.465 -4.401 6.356 1.00 10.00 H new ATOM 0 HA VAL A 121 9.869 -3.332 7.266 1.00 10.00 H new ATOM 0 HB VAL A 121 10.420 -6.224 6.595 1.00 10.00 H new ATOM 0 HG11 VAL A 121 7.977 -6.288 6.286 1.00 10.00 H new ATOM 0 HG12 VAL A 121 8.430 -5.746 7.920 1.00 10.00 H new ATOM 0 HG13 VAL A 121 7.885 -4.562 6.708 1.00 10.00 H new ATOM 0 HG21 VAL A 121 9.459 -5.854 4.369 1.00 10.00 H new ATOM 0 HG22 VAL A 121 9.449 -4.100 4.671 1.00 10.00 H new ATOM 0 HG23 VAL A 121 10.993 -4.981 4.592 1.00 10.00 H new ATOM 1527 N SER A 122 10.416 -4.053 9.608 1.00 10.00 N ATOM 1528 CA SER A 122 10.698 -4.463 10.972 1.00 10.00 C ATOM 1529 C SER A 122 9.428 -4.435 11.818 1.00 10.00 C ATOM 1530 O SER A 122 8.817 -3.382 11.995 1.00 10.00 O ATOM 1531 CB SER A 122 11.767 -3.546 11.579 1.00 10.00 C ATOM 1532 OG SER A 122 12.928 -3.496 10.760 1.00 10.00 O ATOM 0 H SER A 122 9.806 -3.240 9.529 1.00 10.00 H new ATOM 0 HA SER A 122 11.073 -5.486 10.960 1.00 10.00 H new ATOM 0 HB2 SER A 122 11.361 -2.542 11.701 1.00 10.00 H new ATOM 0 HB3 SER A 122 12.035 -3.904 12.573 1.00 10.00 H new ATOM 0 HG SER A 122 13.592 -2.903 11.170 1.00 10.00 H new ATOM 1538 N ALA A 123 9.029 -5.611 12.301 1.00 10.00 N ATOM 1539 CA ALA A 123 7.845 -5.767 13.147 1.00 10.00 C ATOM 1540 C ALA A 123 6.579 -5.283 12.444 1.00 10.00 C ATOM 1541 O ALA A 123 5.852 -4.436 12.967 1.00 10.00 O ATOM 1542 CB ALA A 123 8.034 -5.045 14.475 1.00 10.00 C ATOM 0 H ALA A 123 9.519 -6.486 12.116 1.00 10.00 H new ATOM 0 HA ALA A 123 7.722 -6.832 13.345 1.00 10.00 H new ATOM 0 HB1 ALA A 123 7.143 -5.173 15.089 1.00 10.00 H new ATOM 0 HB2 ALA A 123 8.896 -5.461 14.996 1.00 10.00 H new ATOM 0 HB3 ALA A 123 8.198 -3.983 14.292 1.00 10.00 H new ATOM 1548 N ASN A 124 6.336 -5.825 11.247 1.00 10.00 N ATOM 1549 CA ASN A 124 5.157 -5.479 10.445 1.00 10.00 C ATOM 1550 C ASN A 124 5.066 -3.975 10.201 1.00 10.00 C ATOM 1551 O ASN A 124 3.977 -3.404 10.110 1.00 10.00 O ATOM 1552 CB ASN A 124 3.878 -5.975 11.125 1.00 10.00 C ATOM 1553 CG ASN A 124 3.232 -7.132 10.385 1.00 10.00 C ATOM 1554 OD1 ASN A 124 3.915 -7.964 9.781 1.00 10.00 O ATOM 1555 ND2 ASN A 124 1.909 -7.196 10.429 1.00 10.00 N ATOM 0 H ASN A 124 6.947 -6.513 10.808 1.00 10.00 H new ATOM 0 HA ASN A 124 5.263 -5.974 9.479 1.00 10.00 H new ATOM 0 HB2 ASN A 124 4.110 -6.285 12.144 1.00 10.00 H new ATOM 0 HB3 ASN A 124 3.167 -5.152 11.196 1.00 10.00 H new ATOM 0 HD21 ASN A 124 1.419 -7.953 9.953 1.00 10.00 H new ATOM 0 HD22 ASN A 124 1.381 -6.488 10.939 1.00 10.00 H new ATOM 1562 N LYS A 125 6.215 -3.343 10.080 1.00 10.00 N ATOM 1563 CA LYS A 125 6.287 -1.916 9.854 1.00 10.00 C ATOM 1564 C LYS A 125 7.370 -1.622 8.834 1.00 10.00 C ATOM 1565 O LYS A 125 8.485 -2.137 8.935 1.00 10.00 O ATOM 1566 CB LYS A 125 6.594 -1.199 11.168 1.00 10.00 C ATOM 1567 CG LYS A 125 6.533 0.319 11.092 1.00 10.00 C ATOM 1568 CD LYS A 125 7.046 0.947 12.379 1.00 10.00 C ATOM 1569 CE LYS A 125 6.139 2.066 12.860 1.00 10.00 C ATOM 1570 NZ LYS A 125 6.706 2.772 14.040 1.00 10.00 N ATOM 0 H LYS A 125 7.123 -3.804 10.136 1.00 10.00 H new ATOM 0 HA LYS A 125 5.330 -1.558 9.474 1.00 10.00 H new ATOM 0 HB2 LYS A 125 5.889 -1.540 11.926 1.00 10.00 H new ATOM 0 HB3 LYS A 125 7.589 -1.493 11.503 1.00 10.00 H new ATOM 0 HG2 LYS A 125 7.129 0.669 10.249 1.00 10.00 H new ATOM 0 HG3 LYS A 125 5.506 0.637 10.911 1.00 10.00 H new ATOM 0 HD2 LYS A 125 7.121 0.182 13.152 1.00 10.00 H new ATOM 0 HD3 LYS A 125 8.051 1.337 12.218 1.00 10.00 H new ATOM 0 HE2 LYS A 125 5.983 2.779 12.051 1.00 10.00 H new ATOM 0 HE3 LYS A 125 5.162 1.656 13.117 1.00 10.00 H new ATOM 0 HZ1 LYS A 125 6.057 3.528 14.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 125 6.832 2.097 14.821 1.00 10.00 H new ATOM 0 HZ3 LYS A 125 7.627 3.185 13.788 1.00 10.00 H new ATOM 1584 N LEU A 126 7.031 -0.830 7.841 1.00 10.00 N ATOM 1585 CA LEU A 126 7.984 -0.462 6.816 1.00 10.00 C ATOM 1586 C LEU A 126 8.708 0.799 7.249 1.00 10.00 C ATOM 1587 O LEU A 126 8.084 1.831 7.494 1.00 10.00 O ATOM 1588 CB LEU A 126 7.278 -0.236 5.478 1.00 10.00 C ATOM 1589 CG LEU A 126 6.636 -1.485 4.864 1.00 10.00 C ATOM 1590 CD1 LEU A 126 5.924 -1.140 3.563 1.00 10.00 C ATOM 1591 CD2 LEU A 126 7.685 -2.563 4.631 1.00 10.00 C ATOM 0 H LEU A 126 6.101 -0.428 7.721 1.00 10.00 H new ATOM 0 HA LEU A 126 8.702 -1.271 6.683 1.00 10.00 H new ATOM 0 HB2 LEU A 126 6.506 0.521 5.615 1.00 10.00 H new ATOM 0 HB3 LEU A 126 7.999 0.170 4.768 1.00 10.00 H new ATOM 0 HG LEU A 126 5.896 -1.870 5.565 1.00 10.00 H new ATOM 0 HD11 LEU A 126 5.475 -2.041 3.144 1.00 10.00 H new ATOM 0 HD12 LEU A 126 5.145 -0.404 3.759 1.00 10.00 H new ATOM 0 HD13 LEU A 126 6.642 -0.728 2.854 1.00 10.00 H new ATOM 0 HD21 LEU A 126 7.212 -3.443 4.195 1.00 10.00 H new ATOM 0 HD22 LEU A 126 8.449 -2.187 3.950 1.00 10.00 H new ATOM 0 HD23 LEU A 126 8.147 -2.833 5.581 1.00 10.00 H new ATOM 1603 N LEU A 127 10.019 0.712 7.339 1.00 10.00 N ATOM 1604 CA LEU A 127 10.823 1.838 7.766 1.00 10.00 C ATOM 1605 C LEU A 127 11.503 2.494 6.584 1.00 10.00 C ATOM 1606 O LEU A 127 12.324 1.878 5.907 1.00 10.00 O ATOM 1607 CB LEU A 127 11.888 1.397 8.777 1.00 10.00 C ATOM 1608 CG LEU A 127 11.506 1.514 10.253 1.00 10.00 C ATOM 1609 CD1 LEU A 127 11.253 2.965 10.625 1.00 10.00 C ATOM 1610 CD2 LEU A 127 10.293 0.654 10.570 1.00 10.00 C ATOM 0 H LEU A 127 10.552 -0.130 7.121 1.00 10.00 H new ATOM 0 HA LEU A 127 10.154 2.556 8.240 1.00 10.00 H new ATOM 0 HB2 LEU A 127 12.147 0.358 8.571 1.00 10.00 H new ATOM 0 HB3 LEU A 127 12.787 1.989 8.608 1.00 10.00 H new ATOM 0 HG LEU A 127 12.341 1.148 10.851 1.00 10.00 H new ATOM 0 HD11 LEU A 127 10.982 3.029 11.679 1.00 10.00 H new ATOM 0 HD12 LEU A 127 12.156 3.549 10.446 1.00 10.00 H new ATOM 0 HD13 LEU A 127 10.439 3.360 10.017 1.00 10.00 H new ATOM 0 HD21 LEU A 127 10.042 0.755 11.626 1.00 10.00 H new ATOM 0 HD22 LEU A 127 9.448 0.979 9.963 1.00 10.00 H new ATOM 0 HD23 LEU A 127 10.519 -0.389 10.349 1.00 10.00 H new ATOM 1622 N VAL A 128 11.140 3.732 6.324 1.00 10.00 N ATOM 1623 CA VAL A 128 11.750 4.487 5.252 1.00 10.00 C ATOM 1624 C VAL A 128 12.680 5.505 5.881 1.00 10.00 C ATOM 1625 O VAL A 128 12.226 6.378 6.619 1.00 10.00 O ATOM 1626 CB VAL A 128 10.698 5.228 4.397 1.00 10.00 C ATOM 1627 CG1 VAL A 128 11.297 5.666 3.074 1.00 10.00 C ATOM 1628 CG2 VAL A 128 9.467 4.367 4.171 1.00 10.00 C ATOM 0 H VAL A 128 10.422 4.238 6.843 1.00 10.00 H new ATOM 0 HA VAL A 128 12.283 3.801 4.594 1.00 10.00 H new ATOM 0 HB VAL A 128 10.387 6.117 4.946 1.00 10.00 H new ATOM 0 HG11 VAL A 128 10.540 6.186 2.486 1.00 10.00 H new ATOM 0 HG12 VAL A 128 12.137 6.336 3.259 1.00 10.00 H new ATOM 0 HG13 VAL A 128 11.645 4.791 2.525 1.00 10.00 H new ATOM 0 HG21 VAL A 128 8.745 4.916 3.566 1.00 10.00 H new ATOM 0 HG22 VAL A 128 9.753 3.452 3.653 1.00 10.00 H new ATOM 0 HG23 VAL A 128 9.018 4.115 5.132 1.00 10.00 H new ATOM 1638 N GLN A 129 13.966 5.408 5.593 1.00 10.00 N ATOM 1639 CA GLN A 129 14.941 6.316 6.175 1.00 10.00 C ATOM 1640 C GLN A 129 15.937 6.793 5.133 1.00 10.00 C ATOM 1641 O GLN A 129 16.322 6.039 4.241 1.00 10.00 O ATOM 1642 CB GLN A 129 15.701 5.614 7.309 1.00 10.00 C ATOM 1643 CG GLN A 129 14.807 5.075 8.418 1.00 10.00 C ATOM 1644 CD GLN A 129 15.421 3.884 9.136 1.00 10.00 C ATOM 1645 OE1 GLN A 129 16.173 3.104 8.544 1.00 10.00 O ATOM 1646 NE2 GLN A 129 15.101 3.731 10.412 1.00 10.00 N ATOM 0 H GLN A 129 14.360 4.711 4.961 1.00 10.00 H new ATOM 0 HA GLN A 129 14.401 7.179 6.566 1.00 10.00 H new ATOM 0 HB2 GLN A 129 16.278 4.790 6.889 1.00 10.00 H new ATOM 0 HB3 GLN A 129 16.415 6.315 7.741 1.00 10.00 H new ATOM 0 HG2 GLN A 129 14.611 5.868 9.140 1.00 10.00 H new ATOM 0 HG3 GLN A 129 13.845 4.784 7.995 1.00 10.00 H new ATOM 0 HE21 GLN A 129 14.476 4.398 10.865 1.00 10.00 H new ATOM 0 HE22 GLN A 129 15.480 2.946 10.942 1.00 10.00 H new ATOM 1655 N PRO A 130 16.351 8.060 5.219 1.00 10.00 N ATOM 1656 CA PRO A 130 17.330 8.619 4.305 1.00 10.00 C ATOM 1657 C PRO A 130 18.745 8.249 4.727 1.00 10.00 C ATOM 1658 O PRO A 130 19.124 8.404 5.889 1.00 10.00 O ATOM 1659 CB PRO A 130 17.106 10.120 4.419 1.00 10.00 C ATOM 1660 CG PRO A 130 16.597 10.324 5.806 1.00 10.00 C ATOM 1661 CD PRO A 130 15.882 9.056 6.201 1.00 10.00 C ATOM 0 HA PRO A 130 17.218 8.248 3.286 1.00 10.00 H new ATOM 0 HB2 PRO A 130 18.031 10.672 4.252 1.00 10.00 H new ATOM 0 HB3 PRO A 130 16.387 10.470 3.678 1.00 10.00 H new ATOM 0 HG2 PRO A 130 17.418 10.534 6.492 1.00 10.00 H new ATOM 0 HG3 PRO A 130 15.921 11.178 5.848 1.00 10.00 H new ATOM 0 HD2 PRO A 130 16.130 8.759 7.220 1.00 10.00 H new ATOM 0 HD3 PRO A 130 14.800 9.179 6.159 1.00 10.00 H new ATOM 1669 N VAL A 131 19.521 7.754 3.786 1.00 10.00 N ATOM 1670 CA VAL A 131 20.888 7.357 4.074 1.00 10.00 C ATOM 1671 C VAL A 131 21.860 8.462 3.680 1.00 10.00 C ATOM 1672 O VAL A 131 21.666 9.128 2.660 1.00 10.00 O ATOM 1673 CB VAL A 131 21.279 6.045 3.360 1.00 10.00 C ATOM 1674 CG1 VAL A 131 20.775 4.847 4.144 1.00 10.00 C ATOM 1675 CG2 VAL A 131 20.744 6.012 1.942 1.00 10.00 C ATOM 0 H VAL A 131 19.232 7.616 2.817 1.00 10.00 H new ATOM 0 HA VAL A 131 20.946 7.183 5.148 1.00 10.00 H new ATOM 0 HB VAL A 131 22.367 6.000 3.310 1.00 10.00 H new ATOM 0 HG11 VAL A 131 21.058 3.929 3.628 1.00 10.00 H new ATOM 0 HG12 VAL A 131 21.215 4.853 5.141 1.00 10.00 H new ATOM 0 HG13 VAL A 131 19.689 4.897 4.226 1.00 10.00 H new ATOM 0 HG21 VAL A 131 21.035 5.076 1.465 1.00 10.00 H new ATOM 0 HG22 VAL A 131 19.657 6.086 1.962 1.00 10.00 H new ATOM 0 HG23 VAL A 131 21.155 6.850 1.379 1.00 10.00 H new