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 133 ASN :FLIP amide:sc= 0.862 F(o=-2.6!,f=1.7) USER MOD Set 1.2: A 148 THR OG1 : rot -77:sc= 0.815 USER MOD Set 2.1: A 120 TYR OH : rot -16:sc= -0.65 USER MOD Set 2.2: A 138 GLN : amide:sc= -0.55 K(o=-1.2,f=-3.5!) USER MOD Set 3.1: A 98 HIS : no HD1:sc= -0.131 K(o=0.16,f=-0.58) USER MOD Set 3.2: A 119 THR OG1 : rot 38:sc= 0.29 USER MOD Set 4.1: A 78 SER OG : rot -100:sc= -1.56 USER MOD Set 4.2: A 82 HIS : no HE2:sc= -6.7! C(o=-7.3!,f=-11!) USER MOD Set 4.3: A 85 SER OG : rot 149:sc= 0.928 USER MOD Single : A 61 LYS NZ :NH3+ 146:sc= 0.103 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0206 K(o=-0.021,f=-2.1!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.00381 K(o=0.0038,f=-1.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -55:sc= 0.683 USER MOD Single : A 95 SER OG : rot 180:sc= -0.18 USER MOD Single : A 105 ASN :FLIP amide:sc= -0.0344 F(o=-1.1,f=-0.034) USER MOD Single : A 106 ASN : amide:sc= -0.621 K(o=-0.62,f=-4.9!) USER MOD Single : A 109 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.6!) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.38 F(o=-2.7!,f=-0.38) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 416 N GLY A 54 -13.723 -7.250 -4.487 1.00 0.00 N ATOM 417 CA GLY A 54 -12.965 -6.081 -3.952 1.00 0.00 C ATOM 418 C GLY A 54 -11.656 -6.546 -3.316 1.00 0.00 C ATOM 419 O GLY A 54 -11.568 -6.737 -2.118 1.00 0.00 O ATOM 0 HA2 GLY A 54 -12.756 -5.375 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.569 -5.554 -3.214 1.00 0.00 H new ATOM 423 N LEU A 55 -10.629 -6.720 -4.099 1.00 0.00 N ATOM 424 CA LEU A 55 -9.328 -7.160 -3.516 1.00 0.00 C ATOM 425 C LEU A 55 -8.184 -6.602 -4.360 1.00 0.00 C ATOM 426 O LEU A 55 -8.263 -6.540 -5.573 1.00 0.00 O ATOM 427 CB LEU A 55 -9.262 -8.702 -3.475 1.00 0.00 C ATOM 428 CG LEU A 55 -8.557 -9.163 -2.182 1.00 0.00 C ATOM 429 CD1 LEU A 55 -9.541 -9.127 -1.002 1.00 0.00 C ATOM 430 CD2 LEU A 55 -8.027 -10.590 -2.359 1.00 0.00 C ATOM 0 H LEU A 55 -10.631 -6.579 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.239 -6.784 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.268 -9.119 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.723 -9.075 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.725 -8.489 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.033 -9.454 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.908 -8.110 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.380 -9.791 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.530 -10.910 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.857 -11.262 -2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.316 -10.614 -3.185 1.00 0.00 H new ATOM 442 N ALA A 56 -7.119 -6.194 -3.721 1.00 0.00 N ATOM 443 CA ALA A 56 -5.954 -5.629 -4.463 1.00 0.00 C ATOM 444 C ALA A 56 -4.662 -6.257 -3.949 1.00 0.00 C ATOM 445 O ALA A 56 -4.633 -6.898 -2.915 1.00 0.00 O ATOM 446 CB ALA A 56 -5.902 -4.122 -4.241 1.00 0.00 C ATOM 0 H ALA A 56 -7.006 -6.229 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.063 -5.844 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.052 -3.704 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.823 -3.668 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.793 -3.915 -3.176 1.00 0.00 H new ATOM 452 N LEU A 57 -3.592 -6.083 -4.679 1.00 0.00 N ATOM 453 CA LEU A 57 -2.284 -6.667 -4.270 1.00 0.00 C ATOM 454 C LEU A 57 -1.199 -5.601 -4.344 1.00 0.00 C ATOM 455 O LEU A 57 -1.297 -4.640 -5.087 1.00 0.00 O ATOM 456 CB LEU A 57 -1.925 -7.819 -5.213 1.00 0.00 C ATOM 457 CG LEU A 57 -2.901 -9.006 -5.016 1.00 0.00 C ATOM 458 CD1 LEU A 57 -4.106 -8.879 -5.959 1.00 0.00 C ATOM 459 CD2 LEU A 57 -2.178 -10.327 -5.303 1.00 0.00 C ATOM 0 H LEU A 57 -3.570 -5.555 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.359 -7.037 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.964 -7.476 -6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.903 -8.146 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.253 -8.992 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.779 -9.722 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.635 -7.949 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.760 -8.875 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.869 -11.158 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.814 -10.327 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.336 -10.437 -4.620 1.00 0.00 H new ATOM 471 N LEU A 58 -0.160 -5.773 -3.572 1.00 0.00 N ATOM 472 CA LEU A 58 0.963 -4.795 -3.565 1.00 0.00 C ATOM 473 C LEU A 58 2.207 -5.484 -4.108 1.00 0.00 C ATOM 474 O LEU A 58 2.490 -6.617 -3.773 1.00 0.00 O ATOM 475 CB LEU A 58 1.221 -4.341 -2.129 1.00 0.00 C ATOM 476 CG LEU A 58 -0.067 -3.762 -1.540 1.00 0.00 C ATOM 477 CD1 LEU A 58 0.187 -3.300 -0.103 1.00 0.00 C ATOM 478 CD2 LEU A 58 -0.546 -2.578 -2.395 1.00 0.00 C ATOM 0 H LEU A 58 -0.041 -6.562 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 58 0.716 -3.930 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.564 -5.182 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.012 -3.591 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.839 -4.531 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.732 -2.888 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.511 -4.148 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.963 -2.534 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.463 -2.170 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.222 -1.805 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.737 -2.918 -3.413 1.00 0.00 H new ATOM 490 N VAL A 59 2.947 -4.811 -4.955 1.00 0.00 N ATOM 491 CA VAL A 59 4.178 -5.429 -5.539 1.00 0.00 C ATOM 492 C VAL A 59 5.388 -4.535 -5.261 1.00 0.00 C ATOM 493 O VAL A 59 5.362 -3.339 -5.484 1.00 0.00 O ATOM 494 CB VAL A 59 3.982 -5.602 -7.046 1.00 0.00 C ATOM 495 CG1 VAL A 59 5.316 -5.953 -7.714 1.00 0.00 C ATOM 496 CG2 VAL A 59 2.979 -6.734 -7.286 1.00 0.00 C ATOM 0 H VAL A 59 2.751 -3.860 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 59 4.354 -6.403 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 59 3.608 -4.672 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.165 -6.074 -8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.034 -5.152 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.699 -6.883 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.830 -6.867 -8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.364 -7.658 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.028 -6.483 -6.816 1.00 0.00 H new ATOM 506 N VAL A 60 6.451 -5.118 -4.777 1.00 0.00 N ATOM 507 CA VAL A 60 7.677 -4.329 -4.480 1.00 0.00 C ATOM 508 C VAL A 60 8.369 -3.938 -5.788 1.00 0.00 C ATOM 509 O VAL A 60 8.544 -4.744 -6.682 1.00 0.00 O ATOM 510 CB VAL A 60 8.620 -5.177 -3.628 1.00 0.00 C ATOM 511 CG1 VAL A 60 9.968 -4.463 -3.471 1.00 0.00 C ATOM 512 CG2 VAL A 60 7.995 -5.391 -2.248 1.00 0.00 C ATOM 0 H VAL A 60 6.521 -6.115 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 60 7.409 -3.422 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 60 8.780 -6.139 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.635 -5.074 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.414 -4.308 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.815 -3.499 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.664 -5.996 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.836 -4.426 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.040 -5.904 -2.357 1.00 0.00 H new ATOM 522 N LYS A 61 8.759 -2.701 -5.908 1.00 0.00 N ATOM 523 CA LYS A 61 9.437 -2.244 -7.153 1.00 0.00 C ATOM 524 C LYS A 61 10.938 -2.516 -7.058 1.00 0.00 C ATOM 525 O LYS A 61 11.459 -3.410 -7.701 1.00 0.00 O ATOM 526 CB LYS A 61 9.219 -0.744 -7.313 1.00 0.00 C ATOM 527 CG LYS A 61 7.720 -0.447 -7.327 1.00 0.00 C ATOM 528 CD LYS A 61 7.490 1.066 -7.441 1.00 0.00 C ATOM 529 CE LYS A 61 7.758 1.543 -8.877 1.00 0.00 C ATOM 530 NZ LYS A 61 7.196 2.910 -9.057 1.00 0.00 N ATOM 0 H LYS A 61 8.637 -1.983 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 61 9.024 -2.781 -8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.700 -0.206 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.679 -0.395 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.246 -0.960 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.256 -0.827 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.466 1.307 -7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.146 1.593 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.830 1.549 -9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.305 0.855 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.800 3.451 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.236 2.842 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.159 3.394 -8.137 1.00 0.00 H new ATOM 544 N ARG A 62 11.642 -1.737 -6.273 1.00 0.00 N ATOM 545 CA ARG A 62 13.123 -1.923 -6.136 1.00 0.00 C ATOM 546 C ARG A 62 13.486 -2.184 -4.676 1.00 0.00 C ATOM 547 O ARG A 62 12.840 -1.711 -3.762 1.00 0.00 O ATOM 548 CB ARG A 62 13.841 -0.656 -6.603 1.00 0.00 C ATOM 549 CG ARG A 62 13.688 -0.505 -8.119 1.00 0.00 C ATOM 550 CD ARG A 62 14.363 0.791 -8.577 1.00 0.00 C ATOM 551 NE ARG A 62 14.234 0.922 -10.058 1.00 0.00 N ATOM 552 CZ ARG A 62 14.601 2.023 -10.660 1.00 0.00 C ATOM 553 NH1 ARG A 62 15.074 3.021 -9.969 1.00 0.00 N ATOM 554 NH2 ARG A 62 14.493 2.123 -11.957 1.00 0.00 N ATOM 0 H ARG A 62 11.253 -0.975 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 62 13.429 -2.774 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.426 0.216 -6.097 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.897 -0.706 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.136 -1.359 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.632 -0.492 -8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 62 13.903 1.647 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.415 0.786 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 62 13.857 0.147 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.159 2.945 -8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 62 15.359 3.879 -10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.123 1.343 -12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.779 2.981 -12.428 1.00 0.00 H new ATOM 568 N GLY A 63 14.527 -2.940 -4.454 1.00 0.00 N ATOM 569 CA GLY A 63 14.950 -3.244 -3.059 1.00 0.00 C ATOM 570 C GLY A 63 15.716 -4.570 -3.047 1.00 0.00 C ATOM 571 O GLY A 63 15.815 -5.240 -4.053 1.00 0.00 O ATOM 0 H GLY A 63 15.104 -3.361 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.580 -2.442 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.079 -3.307 -2.407 1.00 0.00 H new ATOM 575 N PRO A 64 16.248 -4.942 -1.913 1.00 0.00 N ATOM 576 CA PRO A 64 17.018 -6.217 -1.756 1.00 0.00 C ATOM 577 C PRO A 64 16.109 -7.451 -1.887 1.00 0.00 C ATOM 578 O PRO A 64 16.564 -8.554 -2.121 1.00 0.00 O ATOM 579 CB PRO A 64 17.608 -6.112 -0.338 1.00 0.00 C ATOM 580 CG PRO A 64 16.689 -5.182 0.391 1.00 0.00 C ATOM 581 CD PRO A 64 16.169 -4.191 -0.652 1.00 0.00 C ATOM 0 HA PRO A 64 17.779 -6.341 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 64 17.649 -7.088 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 64 18.626 -5.724 -0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.867 -5.729 0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.215 -4.663 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.147 -3.879 -0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.778 -3.287 -0.685 1.00 0.00 H new ATOM 589 N ASN A 65 14.825 -7.267 -1.738 1.00 0.00 N ATOM 590 CA ASN A 65 13.880 -8.419 -1.854 1.00 0.00 C ATOM 591 C ASN A 65 13.450 -8.579 -3.317 1.00 0.00 C ATOM 592 O ASN A 65 13.885 -9.475 -4.018 1.00 0.00 O ATOM 593 CB ASN A 65 12.640 -8.142 -0.997 1.00 0.00 C ATOM 594 CG ASN A 65 12.968 -8.349 0.483 1.00 0.00 C ATOM 595 OD1 ASN A 65 13.962 -8.962 0.821 1.00 0.00 O ATOM 596 ND2 ASN A 65 12.164 -7.858 1.389 1.00 0.00 N ATOM 0 H ASN A 65 14.387 -6.367 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 65 14.372 -9.330 -1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.295 -7.121 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.827 -8.805 -1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.371 -7.989 2.379 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.330 -7.344 1.106 1.00 0.00 H new ATOM 603 N ALA A 66 12.593 -7.713 -3.775 1.00 0.00 N ATOM 604 CA ALA A 66 12.116 -7.789 -5.189 1.00 0.00 C ATOM 605 C ALA A 66 11.409 -9.126 -5.447 1.00 0.00 C ATOM 606 O ALA A 66 11.896 -10.186 -5.094 1.00 0.00 O ATOM 607 CB ALA A 66 13.296 -7.642 -6.153 1.00 0.00 C ATOM 0 H ALA A 66 12.197 -6.948 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 66 11.410 -6.976 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.936 -7.699 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 66 13.780 -6.679 -5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.013 -8.443 -5.975 1.00 0.00 H new ATOM 613 N GLY A 67 10.256 -9.075 -6.065 1.00 0.00 N ATOM 614 CA GLY A 67 9.488 -10.325 -6.356 1.00 0.00 C ATOM 615 C GLY A 67 8.447 -10.543 -5.251 1.00 0.00 C ATOM 616 O GLY A 67 7.480 -11.262 -5.422 1.00 0.00 O ATOM 0 H GLY A 67 9.810 -8.214 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.996 -10.247 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.164 -11.178 -6.409 1.00 0.00 H new ATOM 620 N SER A 68 8.644 -9.933 -4.116 1.00 0.00 N ATOM 621 CA SER A 68 7.679 -10.110 -2.990 1.00 0.00 C ATOM 622 C SER A 68 6.358 -9.386 -3.286 1.00 0.00 C ATOM 623 O SER A 68 6.328 -8.324 -3.886 1.00 0.00 O ATOM 624 CB SER A 68 8.293 -9.547 -1.713 1.00 0.00 C ATOM 625 OG SER A 68 9.279 -10.449 -1.232 1.00 0.00 O ATOM 0 H SER A 68 9.433 -9.318 -3.917 1.00 0.00 H new ATOM 0 HA SER A 68 7.470 -11.173 -2.869 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.739 -8.572 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.520 -9.398 -0.959 1.00 0.00 H new ATOM 0 HG SER A 68 9.678 -10.091 -0.412 1.00 0.00 H new ATOM 631 N ARG A 69 5.260 -9.955 -2.854 1.00 0.00 N ATOM 632 CA ARG A 69 3.935 -9.314 -3.091 1.00 0.00 C ATOM 633 C ARG A 69 3.001 -9.612 -1.914 1.00 0.00 C ATOM 634 O ARG A 69 3.128 -10.623 -1.251 1.00 0.00 O ATOM 635 CB ARG A 69 3.329 -9.864 -4.385 1.00 0.00 C ATOM 636 CG ARG A 69 3.200 -11.387 -4.292 1.00 0.00 C ATOM 637 CD ARG A 69 2.622 -11.928 -5.602 1.00 0.00 C ATOM 638 NE ARG A 69 2.474 -13.409 -5.507 1.00 0.00 N ATOM 639 CZ ARG A 69 2.048 -14.100 -6.531 1.00 0.00 C ATOM 640 NH1 ARG A 69 1.766 -13.501 -7.655 1.00 0.00 N ATOM 641 NH2 ARG A 69 1.909 -15.392 -6.429 1.00 0.00 N ATOM 0 H ARG A 69 5.227 -10.839 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 69 4.063 -8.235 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.350 -9.417 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.957 -9.594 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.175 -11.835 -4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.554 -11.658 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.655 -11.467 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.277 -11.670 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 69 2.707 -13.886 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.878 -12.490 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.434 -14.043 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.133 -15.861 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.577 -15.934 -7.227 1.00 0.00 H new ATOM 655 N PHE A 70 2.063 -8.733 -1.647 1.00 0.00 N ATOM 656 CA PHE A 70 1.110 -8.953 -0.513 1.00 0.00 C ATOM 657 C PHE A 70 -0.323 -8.747 -1.002 1.00 0.00 C ATOM 658 O PHE A 70 -0.588 -7.909 -1.845 1.00 0.00 O ATOM 659 CB PHE A 70 1.402 -7.943 0.594 1.00 0.00 C ATOM 660 CG PHE A 70 2.820 -8.123 1.077 1.00 0.00 C ATOM 661 CD1 PHE A 70 3.133 -9.169 1.952 1.00 0.00 C ATOM 662 CD2 PHE A 70 3.823 -7.245 0.648 1.00 0.00 C ATOM 663 CE1 PHE A 70 4.446 -9.337 2.400 1.00 0.00 C ATOM 664 CE2 PHE A 70 5.137 -7.412 1.097 1.00 0.00 C ATOM 665 CZ PHE A 70 5.449 -8.459 1.972 1.00 0.00 C ATOM 0 H PHE A 70 1.917 -7.869 -2.169 1.00 0.00 H new ATOM 0 HA PHE A 70 1.229 -9.968 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.259 -6.928 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.705 -8.081 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.359 -9.847 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.582 -6.439 -0.029 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.687 -10.144 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.910 -6.733 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.464 -8.590 2.317 1.00 0.00 H new ATOM 675 N LEU A 71 -1.253 -9.500 -0.467 1.00 0.00 N ATOM 676 CA LEU A 71 -2.686 -9.364 -0.872 1.00 0.00 C ATOM 677 C LEU A 71 -3.476 -8.746 0.277 1.00 0.00 C ATOM 678 O LEU A 71 -3.180 -8.965 1.435 1.00 0.00 O ATOM 679 CB LEU A 71 -3.246 -10.749 -1.217 1.00 0.00 C ATOM 680 CG LEU A 71 -3.375 -11.624 0.062 1.00 0.00 C ATOM 681 CD1 LEU A 71 -4.827 -11.625 0.574 1.00 0.00 C ATOM 682 CD2 LEU A 71 -2.960 -13.072 -0.253 1.00 0.00 C ATOM 0 H LEU A 71 -1.077 -10.212 0.242 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.768 -8.719 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.222 -10.644 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.592 -11.242 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.723 -11.206 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.897 -12.243 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.130 -10.605 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.484 -12.028 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.052 -13.681 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.608 -13.475 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.926 -13.087 -0.597 1.00 0.00 H new ATOM 694 N LEU A 72 -4.472 -7.956 -0.032 1.00 0.00 N ATOM 695 CA LEU A 72 -5.270 -7.302 1.045 1.00 0.00 C ATOM 696 C LEU A 72 -6.547 -8.097 1.311 1.00 0.00 C ATOM 697 O LEU A 72 -7.416 -8.210 0.468 1.00 0.00 O ATOM 698 CB LEU A 72 -5.620 -5.882 0.593 1.00 0.00 C ATOM 699 CG LEU A 72 -4.327 -5.141 0.216 1.00 0.00 C ATOM 700 CD1 LEU A 72 -4.665 -3.718 -0.243 1.00 0.00 C ATOM 701 CD2 LEU A 72 -3.377 -5.087 1.427 1.00 0.00 C ATOM 0 H LEU A 72 -4.766 -7.736 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.691 -7.268 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.297 -5.915 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.139 -5.351 1.391 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.834 -5.675 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.747 -3.194 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.323 -3.762 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.166 -3.184 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.464 -4.560 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.864 -4.562 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.130 -6.101 1.741 1.00 0.00 H new ATOM 713 N ASP A 73 -6.666 -8.641 2.497 1.00 0.00 N ATOM 714 CA ASP A 73 -7.883 -9.425 2.855 1.00 0.00 C ATOM 715 C ASP A 73 -8.923 -8.472 3.451 1.00 0.00 C ATOM 716 O ASP A 73 -9.440 -8.678 4.532 1.00 0.00 O ATOM 717 CB ASP A 73 -7.505 -10.512 3.865 1.00 0.00 C ATOM 718 CG ASP A 73 -6.913 -9.874 5.123 1.00 0.00 C ATOM 719 OD1 ASP A 73 -6.743 -8.667 5.127 1.00 0.00 O ATOM 720 OD2 ASP A 73 -6.632 -10.608 6.057 1.00 0.00 O ATOM 0 H ASP A 73 -5.966 -8.574 3.236 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.303 -9.904 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.385 -11.100 4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.783 -11.198 3.421 1.00 0.00 H new ATOM 725 N GLN A 74 -9.225 -7.424 2.734 1.00 0.00 N ATOM 726 CA GLN A 74 -10.231 -6.429 3.216 1.00 0.00 C ATOM 727 C GLN A 74 -10.029 -6.112 4.700 1.00 0.00 C ATOM 728 O GLN A 74 -9.016 -6.424 5.297 1.00 0.00 O ATOM 729 CB GLN A 74 -11.640 -6.991 3.019 1.00 0.00 C ATOM 730 CG GLN A 74 -11.934 -7.109 1.526 1.00 0.00 C ATOM 731 CD GLN A 74 -13.322 -7.722 1.325 1.00 0.00 C ATOM 732 OE1 GLN A 74 -14.037 -7.967 2.278 1.00 0.00 O ATOM 733 NE2 GLN A 74 -13.737 -7.979 0.115 1.00 0.00 N ATOM 0 H GLN A 74 -8.814 -7.211 1.825 1.00 0.00 H new ATOM 0 HA GLN A 74 -10.102 -5.512 2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.724 -7.968 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.373 -6.340 3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.888 -6.126 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.178 -7.729 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.137 -7.774 -0.684 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.661 -8.385 -0.032 1.00 0.00 H new ATOM 742 N ALA A 75 -11.011 -5.488 5.294 1.00 0.00 N ATOM 743 CA ALA A 75 -10.930 -5.132 6.736 1.00 0.00 C ATOM 744 C ALA A 75 -9.739 -4.213 6.993 1.00 0.00 C ATOM 745 O ALA A 75 -9.399 -3.368 6.187 1.00 0.00 O ATOM 746 CB ALA A 75 -10.779 -6.403 7.577 1.00 0.00 C ATOM 0 H ALA A 75 -11.876 -5.207 4.833 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.847 -4.613 7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.720 -6.136 8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.640 -7.051 7.414 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.869 -6.927 7.284 1.00 0.00 H new ATOM 752 N ILE A 76 -9.110 -4.373 8.129 1.00 0.00 N ATOM 753 CA ILE A 76 -7.939 -3.518 8.483 1.00 0.00 C ATOM 754 C ILE A 76 -6.671 -4.363 8.474 1.00 0.00 C ATOM 755 O ILE A 76 -6.596 -5.395 9.115 1.00 0.00 O ATOM 756 CB ILE A 76 -8.150 -2.930 9.876 1.00 0.00 C ATOM 757 CG1 ILE A 76 -9.352 -1.984 9.842 1.00 0.00 C ATOM 758 CG2 ILE A 76 -6.900 -2.158 10.299 1.00 0.00 C ATOM 759 CD1 ILE A 76 -9.735 -1.579 11.266 1.00 0.00 C ATOM 0 H ILE A 76 -9.361 -5.067 8.833 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.841 -2.712 7.756 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.335 -3.732 10.591 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.112 -1.098 9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.196 -2.471 9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.051 -1.738 11.294 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.044 -2.833 10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.713 -1.352 9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.591 -0.905 11.235 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.994 -2.469 11.840 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.893 -1.074 11.739 1.00 0.00 H new ATOM 771 N THR A 77 -5.670 -3.927 7.751 1.00 0.00 N ATOM 772 CA THR A 77 -4.386 -4.685 7.685 1.00 0.00 C ATOM 773 C THR A 77 -3.253 -3.797 8.194 1.00 0.00 C ATOM 774 O THR A 77 -2.995 -2.731 7.667 1.00 0.00 O ATOM 775 CB THR A 77 -4.118 -5.088 6.236 1.00 0.00 C ATOM 776 OG1 THR A 77 -5.164 -5.938 5.788 1.00 0.00 O ATOM 777 CG2 THR A 77 -2.785 -5.827 6.149 1.00 0.00 C ATOM 0 H THR A 77 -5.689 -3.070 7.199 1.00 0.00 H new ATOM 0 HA THR A 77 -4.448 -5.580 8.304 1.00 0.00 H new ATOM 0 HB THR A 77 -4.076 -4.197 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.998 -6.199 4.858 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.595 -6.114 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.984 -5.175 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.823 -6.720 6.772 1.00 0.00 H new ATOM 785 N SER A 78 -2.579 -4.227 9.224 1.00 0.00 N ATOM 786 CA SER A 78 -1.465 -3.414 9.786 1.00 0.00 C ATOM 787 C SER A 78 -0.186 -3.662 8.987 1.00 0.00 C ATOM 788 O SER A 78 -0.070 -4.632 8.263 1.00 0.00 O ATOM 789 CB SER A 78 -1.242 -3.813 11.242 1.00 0.00 C ATOM 790 OG SER A 78 -1.151 -5.229 11.324 1.00 0.00 O ATOM 0 H SER A 78 -2.753 -5.111 9.703 1.00 0.00 H new ATOM 0 HA SER A 78 -1.721 -2.356 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.329 -3.354 11.623 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.063 -3.452 11.862 1.00 0.00 H new ATOM 0 HG SER A 78 -2.008 -5.595 11.627 1.00 0.00 H new ATOM 796 N ALA A 79 0.779 -2.784 9.110 1.00 0.00 N ATOM 797 CA ALA A 79 2.062 -2.946 8.359 1.00 0.00 C ATOM 798 C ALA A 79 3.185 -3.351 9.316 1.00 0.00 C ATOM 799 O ALA A 79 2.988 -3.508 10.506 1.00 0.00 O ATOM 800 CB ALA A 79 2.426 -1.615 7.711 1.00 0.00 C ATOM 0 H ALA A 79 0.732 -1.956 9.703 1.00 0.00 H new ATOM 0 HA ALA A 79 1.938 -3.719 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.361 -1.722 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.633 -1.315 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.545 -0.855 8.483 1.00 0.00 H new ATOM 806 N GLY A 80 4.370 -3.517 8.793 1.00 0.00 N ATOM 807 CA GLY A 80 5.526 -3.894 9.652 1.00 0.00 C ATOM 808 C GLY A 80 5.312 -5.277 10.259 1.00 0.00 C ATOM 809 O GLY A 80 5.113 -6.251 9.560 1.00 0.00 O ATOM 0 H GLY A 80 4.587 -3.407 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.443 -3.887 9.062 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.652 -3.158 10.446 1.00 0.00 H new ATOM 813 N ARG A 81 5.370 -5.373 11.561 1.00 0.00 N ATOM 814 CA ARG A 81 5.192 -6.693 12.231 1.00 0.00 C ATOM 815 C ARG A 81 3.819 -6.763 12.885 1.00 0.00 C ATOM 816 O ARG A 81 3.442 -5.914 13.667 1.00 0.00 O ATOM 817 CB ARG A 81 6.271 -6.855 13.302 1.00 0.00 C ATOM 818 CG ARG A 81 6.158 -8.236 13.953 1.00 0.00 C ATOM 819 CD ARG A 81 7.269 -8.410 14.991 1.00 0.00 C ATOM 820 NE ARG A 81 7.262 -9.816 15.487 1.00 0.00 N ATOM 821 CZ ARG A 81 7.901 -10.134 16.580 1.00 0.00 C ATOM 822 NH1 ARG A 81 8.539 -9.219 17.254 1.00 0.00 N ATOM 823 NH2 ARG A 81 7.897 -11.368 17.001 1.00 0.00 N ATOM 0 H ARG A 81 5.534 -4.589 12.192 1.00 0.00 H new ATOM 0 HA ARG A 81 5.275 -7.490 11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.258 -6.733 12.857 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.164 -6.077 14.058 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.183 -8.346 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.232 -9.014 13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.237 -8.173 14.549 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.120 -7.719 15.820 1.00 0.00 H new ATOM 0 HE ARG A 81 6.755 -10.534 14.969 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.540 -8.253 16.928 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.038 -9.469 18.108 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.395 -12.084 16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.396 -11.617 17.855 1.00 0.00 H new ATOM 837 N HIS A 82 3.078 -7.786 12.585 1.00 0.00 N ATOM 838 CA HIS A 82 1.738 -7.940 13.206 1.00 0.00 C ATOM 839 C HIS A 82 1.161 -9.304 12.788 1.00 0.00 C ATOM 840 O HIS A 82 1.246 -9.672 11.635 1.00 0.00 O ATOM 841 CB HIS A 82 0.796 -6.823 12.737 1.00 0.00 C ATOM 842 CG HIS A 82 -0.572 -7.062 13.322 1.00 0.00 C ATOM 843 ND1 HIS A 82 -1.450 -8.002 12.800 1.00 0.00 N ATOM 844 CD2 HIS A 82 -1.223 -6.495 14.391 1.00 0.00 C ATOM 845 CE1 HIS A 82 -2.569 -7.972 13.549 1.00 0.00 C ATOM 846 NE2 HIS A 82 -2.483 -7.071 14.532 1.00 0.00 N ATOM 0 H HIS A 82 3.343 -8.526 11.934 1.00 0.00 H new ATOM 0 HA HIS A 82 1.832 -7.880 14.290 1.00 0.00 H new ATOM 0 HB2 HIS A 82 1.177 -5.852 13.052 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.743 -6.807 11.648 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -1.279 -8.606 11.996 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.819 -5.720 15.026 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.431 -8.600 13.376 1.00 0.00 H new ATOM 854 N PRO A 83 0.590 -10.061 13.702 1.00 0.00 N ATOM 855 CA PRO A 83 0.015 -11.408 13.384 1.00 0.00 C ATOM 856 C PRO A 83 -1.244 -11.342 12.506 1.00 0.00 C ATOM 857 O PRO A 83 -2.003 -10.393 12.550 1.00 0.00 O ATOM 858 CB PRO A 83 -0.301 -12.008 14.765 1.00 0.00 C ATOM 859 CG PRO A 83 -0.488 -10.830 15.668 1.00 0.00 C ATOM 860 CD PRO A 83 0.425 -9.725 15.127 1.00 0.00 C ATOM 0 HA PRO A 83 0.712 -12.008 12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.199 -12.625 14.731 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.511 -12.646 15.113 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.529 -10.506 15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.226 -11.082 16.696 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.023 -8.740 15.255 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.383 -9.710 15.646 1.00 0.00 H new ATOM 868 N ASP A 84 -1.458 -12.361 11.712 1.00 0.00 N ATOM 869 CA ASP A 84 -2.657 -12.400 10.822 1.00 0.00 C ATOM 870 C ASP A 84 -2.572 -11.285 9.776 1.00 0.00 C ATOM 871 O ASP A 84 -3.366 -11.221 8.856 1.00 0.00 O ATOM 872 CB ASP A 84 -3.933 -12.226 11.663 1.00 0.00 C ATOM 873 CG ASP A 84 -5.145 -12.726 10.874 1.00 0.00 C ATOM 874 OD1 ASP A 84 -5.029 -13.763 10.242 1.00 0.00 O ATOM 875 OD2 ASP A 84 -6.168 -12.062 10.915 1.00 0.00 O ATOM 0 H ASP A 84 -0.847 -13.175 11.642 1.00 0.00 H new ATOM 0 HA ASP A 84 -2.689 -13.363 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.842 -12.780 12.598 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.066 -11.177 11.926 1.00 0.00 H new ATOM 880 N SER A 85 -1.622 -10.406 9.903 1.00 0.00 N ATOM 881 CA SER A 85 -1.506 -9.307 8.911 1.00 0.00 C ATOM 882 C SER A 85 -0.951 -9.846 7.586 1.00 0.00 C ATOM 883 O SER A 85 0.018 -10.581 7.553 1.00 0.00 O ATOM 884 CB SER A 85 -0.573 -8.226 9.458 1.00 0.00 C ATOM 885 OG SER A 85 -0.471 -7.171 8.513 1.00 0.00 O ATOM 0 H SER A 85 -0.924 -10.401 10.647 1.00 0.00 H new ATOM 0 HA SER A 85 -2.494 -8.882 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.955 -7.845 10.405 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.412 -8.647 9.658 1.00 0.00 H new ATOM 0 HG SER A 85 -0.329 -6.323 8.983 1.00 0.00 H new ATOM 891 N ASP A 86 -1.555 -9.469 6.495 1.00 0.00 N ATOM 892 CA ASP A 86 -1.068 -9.931 5.163 1.00 0.00 C ATOM 893 C ASP A 86 0.339 -9.377 4.911 1.00 0.00 C ATOM 894 O ASP A 86 1.205 -10.053 4.388 1.00 0.00 O ATOM 895 CB ASP A 86 -2.009 -9.403 4.081 1.00 0.00 C ATOM 896 CG ASP A 86 -3.334 -10.166 4.127 1.00 0.00 C ATOM 897 OD1 ASP A 86 -3.380 -11.197 4.777 1.00 0.00 O ATOM 898 OD2 ASP A 86 -4.281 -9.701 3.515 1.00 0.00 O ATOM 0 H ASP A 86 -2.370 -8.857 6.467 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.042 -11.020 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.187 -8.338 4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.548 -9.515 3.100 1.00 0.00 H new ATOM 903 N ILE A 87 0.567 -8.141 5.265 1.00 0.00 N ATOM 904 CA ILE A 87 1.909 -7.535 5.035 1.00 0.00 C ATOM 905 C ILE A 87 2.824 -7.843 6.220 1.00 0.00 C ATOM 906 O ILE A 87 2.495 -7.575 7.360 1.00 0.00 O ATOM 907 CB ILE A 87 1.764 -6.021 4.875 1.00 0.00 C ATOM 908 CG1 ILE A 87 0.960 -5.728 3.605 1.00 0.00 C ATOM 909 CG2 ILE A 87 3.150 -5.380 4.764 1.00 0.00 C ATOM 910 CD1 ILE A 87 0.595 -4.242 3.551 1.00 0.00 C ATOM 0 H ILE A 87 -0.118 -7.525 5.703 1.00 0.00 H new ATOM 0 HA ILE A 87 2.345 -7.955 4.128 1.00 0.00 H new ATOM 0 HB ILE A 87 1.248 -5.608 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.542 -6.001 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.055 -6.335 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.044 -4.301 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.724 -5.595 5.666 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.671 -5.787 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.023 -4.040 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.004 -3.983 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.506 -3.644 3.546 1.00 0.00 H new ATOM 922 N PHE A 88 3.974 -8.409 5.955 1.00 0.00 N ATOM 923 CA PHE A 88 4.930 -8.751 7.050 1.00 0.00 C ATOM 924 C PHE A 88 6.314 -8.201 6.698 1.00 0.00 C ATOM 925 O PHE A 88 7.143 -8.890 6.132 1.00 0.00 O ATOM 926 CB PHE A 88 4.994 -10.272 7.188 1.00 0.00 C ATOM 927 CG PHE A 88 6.038 -10.646 8.208 1.00 0.00 C ATOM 928 CD1 PHE A 88 5.760 -10.506 9.573 1.00 0.00 C ATOM 929 CD2 PHE A 88 7.284 -11.129 7.793 1.00 0.00 C ATOM 930 CE1 PHE A 88 6.727 -10.850 10.522 1.00 0.00 C ATOM 931 CE2 PHE A 88 8.252 -11.474 8.742 1.00 0.00 C ATOM 932 CZ PHE A 88 7.975 -11.333 10.107 1.00 0.00 C ATOM 0 H PHE A 88 4.294 -8.651 5.017 1.00 0.00 H new ATOM 0 HA PHE A 88 4.600 -8.312 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.021 -10.661 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.233 -10.724 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.799 -10.132 9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.498 -11.235 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.512 -10.743 11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.213 -11.849 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.723 -11.596 10.840 1.00 0.00 H new ATOM 942 N LEU A 89 6.567 -6.957 7.026 1.00 0.00 N ATOM 943 CA LEU A 89 7.894 -6.341 6.712 1.00 0.00 C ATOM 944 C LEU A 89 8.719 -6.241 7.990 1.00 0.00 C ATOM 945 O LEU A 89 8.622 -5.283 8.733 1.00 0.00 O ATOM 946 CB LEU A 89 7.671 -4.940 6.137 1.00 0.00 C ATOM 947 CG LEU A 89 6.932 -5.046 4.793 1.00 0.00 C ATOM 948 CD1 LEU A 89 6.564 -3.640 4.304 1.00 0.00 C ATOM 949 CD2 LEU A 89 7.821 -5.747 3.744 1.00 0.00 C ATOM 0 H LEU A 89 5.908 -6.339 7.500 1.00 0.00 H new ATOM 0 HA LEU A 89 8.425 -6.956 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.091 -4.337 6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.628 -4.436 5.999 1.00 0.00 H new ATOM 0 HG LEU A 89 6.026 -5.636 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.040 -3.712 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.919 -3.157 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.472 -3.050 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.284 -5.814 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.737 -5.173 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.072 -6.749 4.091 1.00 0.00 H new ATOM 961 N ASP A 90 9.540 -7.226 8.250 1.00 0.00 N ATOM 962 CA ASP A 90 10.390 -7.201 9.474 1.00 0.00 C ATOM 963 C ASP A 90 11.799 -6.748 9.085 1.00 0.00 C ATOM 964 O ASP A 90 12.685 -7.552 8.862 1.00 0.00 O ATOM 965 CB ASP A 90 10.430 -8.601 10.101 1.00 0.00 C ATOM 966 CG ASP A 90 10.983 -9.612 9.095 1.00 0.00 C ATOM 967 OD1 ASP A 90 11.204 -9.230 7.959 1.00 0.00 O ATOM 968 OD2 ASP A 90 11.170 -10.754 9.480 1.00 0.00 O ATOM 0 H ASP A 90 9.657 -8.051 7.662 1.00 0.00 H new ATOM 0 HA ASP A 90 9.977 -6.506 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.052 -8.589 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.428 -8.897 10.413 1.00 0.00 H new ATOM 973 N ASP A 91 12.014 -5.461 8.990 1.00 0.00 N ATOM 974 CA ASP A 91 13.366 -4.960 8.605 1.00 0.00 C ATOM 975 C ASP A 91 13.565 -3.539 9.131 1.00 0.00 C ATOM 976 O ASP A 91 12.659 -2.919 9.654 1.00 0.00 O ATOM 977 CB ASP A 91 13.510 -4.963 7.077 1.00 0.00 C ATOM 978 CG ASP A 91 12.391 -4.131 6.453 1.00 0.00 C ATOM 979 OD1 ASP A 91 11.928 -3.214 7.109 1.00 0.00 O ATOM 980 OD2 ASP A 91 12.019 -4.424 5.329 1.00 0.00 O ATOM 0 H ASP A 91 11.315 -4.739 9.162 1.00 0.00 H new ATOM 0 HA ASP A 91 14.121 -5.615 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.481 -4.556 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.470 -5.985 6.700 1.00 0.00 H new ATOM 985 N VAL A 92 14.757 -3.025 9.000 1.00 0.00 N ATOM 986 CA VAL A 92 15.051 -1.648 9.495 1.00 0.00 C ATOM 987 C VAL A 92 14.208 -0.612 8.746 1.00 0.00 C ATOM 988 O VAL A 92 13.575 -0.906 7.751 1.00 0.00 O ATOM 989 CB VAL A 92 16.532 -1.335 9.272 1.00 0.00 C ATOM 990 CG1 VAL A 92 16.948 -0.097 10.079 1.00 0.00 C ATOM 991 CG2 VAL A 92 17.377 -2.531 9.706 1.00 0.00 C ATOM 0 H VAL A 92 15.547 -3.503 8.568 1.00 0.00 H new ATOM 0 HA VAL A 92 14.809 -1.602 10.557 1.00 0.00 H new ATOM 0 HB VAL A 92 16.691 -1.134 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 92 18.004 0.111 9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.354 0.760 9.762 1.00 0.00 H new ATOM 0 HG13 VAL A 92 16.782 -0.282 11.140 1.00 0.00 H new ATOM 0 HG21 VAL A 92 18.432 -2.308 9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 92 17.204 -2.734 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 92 17.099 -3.406 9.118 1.00 0.00 H new ATOM 1001 N THR A 93 14.210 0.600 9.233 1.00 0.00 N ATOM 1002 CA THR A 93 13.428 1.692 8.583 1.00 0.00 C ATOM 1003 C THR A 93 11.938 1.387 8.695 1.00 0.00 C ATOM 1004 O THR A 93 11.104 2.208 8.367 1.00 0.00 O ATOM 1005 CB THR A 93 13.827 1.835 7.102 1.00 0.00 C ATOM 1006 OG1 THR A 93 13.150 0.860 6.321 1.00 0.00 O ATOM 1007 CG2 THR A 93 15.345 1.658 6.949 1.00 0.00 C ATOM 0 H THR A 93 14.727 0.884 10.065 1.00 0.00 H new ATOM 0 HA THR A 93 13.645 2.632 9.090 1.00 0.00 H new ATOM 0 HB THR A 93 13.546 2.829 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.328 -0.032 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.619 1.760 5.899 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.861 2.419 7.535 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.634 0.669 7.304 1.00 0.00 H new ATOM 1015 N VAL A 94 11.594 0.214 9.173 1.00 0.00 N ATOM 1016 CA VAL A 94 10.152 -0.148 9.330 1.00 0.00 C ATOM 1017 C VAL A 94 9.896 -0.588 10.775 1.00 0.00 C ATOM 1018 O VAL A 94 10.510 -1.509 11.281 1.00 0.00 O ATOM 1019 CB VAL A 94 9.809 -1.282 8.371 1.00 0.00 C ATOM 1020 CG1 VAL A 94 8.341 -1.667 8.549 1.00 0.00 C ATOM 1021 CG2 VAL A 94 10.039 -0.809 6.933 1.00 0.00 C ATOM 0 H VAL A 94 12.253 -0.509 9.461 1.00 0.00 H new ATOM 0 HA VAL A 94 9.526 0.715 9.101 1.00 0.00 H new ATOM 0 HB VAL A 94 10.440 -2.146 8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.092 -2.478 7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.172 -1.994 9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.710 -0.804 8.334 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.796 -1.616 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.402 0.051 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.084 -0.525 6.806 1.00 0.00 H new ATOM 1031 N SER A 95 8.993 0.079 11.439 1.00 0.00 N ATOM 1032 CA SER A 95 8.680 -0.265 12.858 1.00 0.00 C ATOM 1033 C SER A 95 7.620 -1.368 12.921 1.00 0.00 C ATOM 1034 O SER A 95 7.374 -2.076 11.964 1.00 0.00 O ATOM 1035 CB SER A 95 8.148 0.985 13.561 1.00 0.00 C ATOM 1036 OG SER A 95 6.743 1.065 13.364 1.00 0.00 O ATOM 0 H SER A 95 8.453 0.855 11.057 1.00 0.00 H new ATOM 0 HA SER A 95 9.586 -0.622 13.348 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.377 0.944 14.626 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.635 1.876 13.164 1.00 0.00 H new ATOM 0 HG SER A 95 6.395 1.863 13.813 1.00 0.00 H new ATOM 1042 N ARG A 96 6.993 -1.518 14.056 1.00 0.00 N ATOM 1043 CA ARG A 96 5.943 -2.566 14.208 1.00 0.00 C ATOM 1044 C ARG A 96 4.784 -2.275 13.246 1.00 0.00 C ATOM 1045 O ARG A 96 4.211 -3.171 12.653 1.00 0.00 O ATOM 1046 CB ARG A 96 5.432 -2.545 15.651 1.00 0.00 C ATOM 1047 CG ARG A 96 6.520 -3.086 16.583 1.00 0.00 C ATOM 1048 CD ARG A 96 6.057 -2.986 18.040 1.00 0.00 C ATOM 1049 NE ARG A 96 4.854 -3.847 18.248 1.00 0.00 N ATOM 1050 CZ ARG A 96 4.983 -5.111 18.563 1.00 0.00 C ATOM 1051 NH1 ARG A 96 6.169 -5.639 18.701 1.00 0.00 N ATOM 1052 NH2 ARG A 96 3.921 -5.845 18.741 1.00 0.00 N ATOM 0 H ARG A 96 7.164 -0.956 14.890 1.00 0.00 H new ATOM 0 HA ARG A 96 6.360 -3.546 13.977 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.163 -1.529 15.939 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.529 -3.150 15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.742 -4.124 16.333 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.442 -2.521 16.446 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.859 -3.298 18.709 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.822 -1.951 18.286 1.00 0.00 H new ATOM 0 HE ARG A 96 3.922 -3.446 18.143 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.002 -5.066 18.563 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.263 -6.625 18.947 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.993 -5.434 18.635 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.017 -6.830 18.987 1.00 0.00 H new ATOM 1066 N ARG A 97 4.439 -1.030 13.079 1.00 0.00 N ATOM 1067 CA ARG A 97 3.327 -0.680 12.150 1.00 0.00 C ATOM 1068 C ARG A 97 3.552 0.738 11.617 1.00 0.00 C ATOM 1069 O ARG A 97 2.987 1.700 12.099 1.00 0.00 O ATOM 1070 CB ARG A 97 1.979 -0.776 12.886 1.00 0.00 C ATOM 1071 CG ARG A 97 2.124 -0.236 14.307 1.00 0.00 C ATOM 1072 CD ARG A 97 0.759 -0.250 15.006 1.00 0.00 C ATOM 1073 NE ARG A 97 0.302 -1.660 15.184 1.00 0.00 N ATOM 1074 CZ ARG A 97 -0.899 -1.916 15.631 1.00 0.00 C ATOM 1075 NH1 ARG A 97 -1.710 -0.940 15.927 1.00 0.00 N ATOM 1076 NH2 ARG A 97 -1.287 -3.153 15.783 1.00 0.00 N ATOM 0 H ARG A 97 4.879 -0.237 13.546 1.00 0.00 H new ATOM 0 HA ARG A 97 3.308 -1.378 11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.220 -0.209 12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.643 -1.812 12.914 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.836 -0.843 14.866 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.520 0.779 14.282 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.830 0.245 15.975 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.031 0.307 14.416 1.00 0.00 H new ATOM 0 HE ARG A 97 0.932 -2.429 14.955 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.408 0.027 15.810 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.647 -1.143 16.276 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.653 -3.918 15.553 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.224 -3.354 16.132 1.00 0.00 H new ATOM 1090 N HIS A 98 4.385 0.869 10.617 1.00 0.00 N ATOM 1091 CA HIS A 98 4.663 2.213 10.036 1.00 0.00 C ATOM 1092 C HIS A 98 3.400 2.760 9.374 1.00 0.00 C ATOM 1093 O HIS A 98 3.101 3.937 9.460 1.00 0.00 O ATOM 1094 CB HIS A 98 5.769 2.089 8.987 1.00 0.00 C ATOM 1095 CG HIS A 98 6.087 3.445 8.416 1.00 0.00 C ATOM 1096 ND1 HIS A 98 5.403 3.969 7.328 1.00 0.00 N ATOM 1097 CD2 HIS A 98 7.016 4.394 8.766 1.00 0.00 C ATOM 1098 CE1 HIS A 98 5.927 5.180 7.065 1.00 0.00 C ATOM 1099 NE2 HIS A 98 6.913 5.488 7.912 1.00 0.00 N ATOM 0 H HIS A 98 4.886 0.097 10.177 1.00 0.00 H new ATOM 0 HA HIS A 98 4.978 2.892 10.828 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.662 1.656 9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.454 1.414 8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.720 4.305 9.580 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.591 5.825 6.266 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.471 6.342 7.929 1.00 0.00 H new ATOM 1107 N ALA A 99 2.659 1.917 8.703 1.00 0.00 N ATOM 1108 CA ALA A 99 1.413 2.381 8.018 1.00 0.00 C ATOM 1109 C ALA A 99 0.284 1.388 8.280 1.00 0.00 C ATOM 1110 O ALA A 99 0.508 0.247 8.651 1.00 0.00 O ATOM 1111 CB ALA A 99 1.662 2.481 6.512 1.00 0.00 C ATOM 0 H ALA A 99 2.863 0.923 8.599 1.00 0.00 H new ATOM 0 HA ALA A 99 1.133 3.360 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.753 2.819 6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.466 3.193 6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.945 1.502 6.124 1.00 0.00 H new ATOM 1117 N GLU A 100 -0.938 1.818 8.089 1.00 0.00 N ATOM 1118 CA GLU A 100 -2.100 0.915 8.322 1.00 0.00 C ATOM 1119 C GLU A 100 -3.118 1.107 7.200 1.00 0.00 C ATOM 1120 O GLU A 100 -3.304 2.197 6.696 1.00 0.00 O ATOM 1121 CB GLU A 100 -2.749 1.265 9.660 1.00 0.00 C ATOM 1122 CG GLU A 100 -3.912 0.308 9.929 1.00 0.00 C ATOM 1123 CD GLU A 100 -4.515 0.608 11.300 1.00 0.00 C ATOM 1124 OE1 GLU A 100 -4.209 1.656 11.845 1.00 0.00 O ATOM 1125 OE2 GLU A 100 -5.272 -0.217 11.784 1.00 0.00 O ATOM 0 H GLU A 100 -1.179 2.760 7.780 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.764 -0.122 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.014 1.196 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.107 2.294 9.644 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.672 0.416 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.563 -0.724 9.892 1.00 0.00 H new ATOM 1132 N PHE A 101 -3.780 0.047 6.809 1.00 0.00 N ATOM 1133 CA PHE A 101 -4.797 0.138 5.718 1.00 0.00 C ATOM 1134 C PHE A 101 -6.181 -0.140 6.302 1.00 0.00 C ATOM 1135 O PHE A 101 -6.346 -1.001 7.143 1.00 0.00 O ATOM 1136 CB PHE A 101 -4.483 -0.910 4.653 1.00 0.00 C ATOM 1137 CG PHE A 101 -3.130 -0.615 4.057 1.00 0.00 C ATOM 1138 CD1 PHE A 101 -3.006 0.351 3.054 1.00 0.00 C ATOM 1139 CD2 PHE A 101 -2.000 -1.306 4.510 1.00 0.00 C ATOM 1140 CE1 PHE A 101 -1.750 0.627 2.500 1.00 0.00 C ATOM 1141 CE2 PHE A 101 -0.744 -1.030 3.956 1.00 0.00 C ATOM 1142 CZ PHE A 101 -0.619 -0.063 2.952 1.00 0.00 C ATOM 0 H PHE A 101 -3.658 -0.886 7.203 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.776 1.133 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.491 -1.907 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.247 -0.898 3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.879 0.884 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -2.097 -2.051 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.654 1.372 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.128 -1.563 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.350 0.151 2.526 1.00 0.00 H new ATOM 1152 N ARG A 102 -7.178 0.586 5.865 1.00 0.00 N ATOM 1153 CA ARG A 102 -8.556 0.374 6.388 1.00 0.00 C ATOM 1154 C ARG A 102 -9.553 0.409 5.234 1.00 0.00 C ATOM 1155 O ARG A 102 -9.423 1.181 4.301 1.00 0.00 O ATOM 1156 CB ARG A 102 -8.890 1.467 7.400 1.00 0.00 C ATOM 1157 CG ARG A 102 -10.350 1.331 7.830 1.00 0.00 C ATOM 1158 CD ARG A 102 -10.617 2.243 9.022 1.00 0.00 C ATOM 1159 NE ARG A 102 -10.452 3.668 8.619 1.00 0.00 N ATOM 1160 CZ ARG A 102 -11.442 4.325 8.075 1.00 0.00 C ATOM 1161 NH1 ARG A 102 -12.591 3.738 7.877 1.00 0.00 N ATOM 1162 NH2 ARG A 102 -11.282 5.572 7.732 1.00 0.00 N ATOM 0 H ARG A 102 -7.093 1.321 5.163 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.614 -0.598 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.235 1.387 8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.719 2.450 6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.010 1.594 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.567 0.296 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.626 2.077 9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.931 2.004 9.834 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.558 4.135 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.719 2.763 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.361 4.255 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.386 6.033 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.053 6.087 7.307 1.00 0.00 H new ATOM 1176 N LEU A 103 -10.553 -0.430 5.292 1.00 0.00 N ATOM 1177 CA LEU A 103 -11.576 -0.469 4.208 1.00 0.00 C ATOM 1178 C LEU A 103 -12.773 0.396 4.608 1.00 0.00 C ATOM 1179 O LEU A 103 -13.334 0.249 5.677 1.00 0.00 O ATOM 1180 CB LEU A 103 -12.031 -1.915 4.006 1.00 0.00 C ATOM 1181 CG LEU A 103 -13.020 -2.007 2.833 1.00 0.00 C ATOM 1182 CD1 LEU A 103 -12.341 -1.567 1.522 1.00 0.00 C ATOM 1183 CD2 LEU A 103 -13.509 -3.455 2.703 1.00 0.00 C ATOM 0 H LEU A 103 -10.705 -1.095 6.050 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.150 -0.086 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.167 -2.551 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.502 -2.285 4.917 1.00 0.00 H new ATOM 0 HG LEU A 103 -13.865 -1.346 3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.055 -1.638 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.999 -0.536 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.488 -2.215 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.211 -3.529 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.658 -4.111 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.005 -3.756 3.626 1.00 0.00 H new ATOM 1195 N GLU A 104 -13.159 1.314 3.760 1.00 0.00 N ATOM 1196 CA GLU A 104 -14.307 2.212 4.090 1.00 0.00 C ATOM 1197 C GLU A 104 -15.613 1.634 3.509 1.00 0.00 C ATOM 1198 O GLU A 104 -15.953 0.485 3.723 1.00 0.00 O ATOM 1199 CB GLU A 104 -14.041 3.594 3.479 1.00 0.00 C ATOM 1200 CG GLU A 104 -14.924 4.647 4.160 1.00 0.00 C ATOM 1201 CD GLU A 104 -14.655 6.021 3.548 1.00 0.00 C ATOM 1202 OE1 GLU A 104 -14.028 6.072 2.503 1.00 0.00 O ATOM 1203 OE2 GLU A 104 -15.084 7.000 4.135 1.00 0.00 O ATOM 0 H GLU A 104 -12.728 1.481 2.851 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.410 2.294 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.990 3.857 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -14.246 3.573 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -15.975 4.385 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -14.720 4.669 5.230 1.00 0.00 H new ATOM 1210 N ASN A 105 -16.346 2.433 2.782 1.00 0.00 N ATOM 1211 CA ASN A 105 -17.627 1.960 2.181 1.00 0.00 C ATOM 1212 C ASN A 105 -17.344 0.852 1.158 1.00 0.00 C ATOM 1213 O ASN A 105 -18.042 -0.142 1.087 1.00 0.00 O ATOM 1214 CB ASN A 105 -18.297 3.147 1.485 1.00 0.00 C ATOM 1215 CG ASN A 105 -18.952 4.064 2.525 1.00 0.00 C ATOM 1216 OD1 ASN A 105 -19.528 3.544 3.576 1.00 0.00 O flip ATOM 1217 ND2 ASN A 105 -18.942 5.271 2.376 1.00 0.00 N flip ATOM 0 H ASN A 105 -16.110 3.404 2.576 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.280 1.560 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.559 3.705 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.047 2.789 0.780 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.493 5.680 1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -19.383 5.874 3.071 1.00 0.00 H new ATOM 1224 N ASN A 106 -16.323 1.012 0.368 1.00 0.00 N ATOM 1225 CA ASN A 106 -15.995 -0.032 -0.642 1.00 0.00 C ATOM 1226 C ASN A 106 -14.677 0.332 -1.328 1.00 0.00 C ATOM 1227 O ASN A 106 -14.425 -0.055 -2.455 1.00 0.00 O ATOM 1228 CB ASN A 106 -17.121 -0.133 -1.688 1.00 0.00 C ATOM 1229 CG ASN A 106 -17.570 1.264 -2.117 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -16.773 2.059 -2.574 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -18.825 1.597 -1.990 1.00 0.00 N ATOM 0 H ASN A 106 -15.700 1.820 0.377 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.896 -0.997 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.772 -0.693 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.965 -0.683 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -19.138 2.525 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -19.494 0.929 -1.606 1.00 0.00 H new ATOM 1238 N GLU A 107 -13.829 1.080 -0.659 1.00 0.00 N ATOM 1239 CA GLU A 107 -12.518 1.477 -1.269 1.00 0.00 C ATOM 1240 C GLU A 107 -11.399 1.351 -0.235 1.00 0.00 C ATOM 1241 O GLU A 107 -11.575 1.639 0.934 1.00 0.00 O ATOM 1242 CB GLU A 107 -12.598 2.921 -1.766 1.00 0.00 C ATOM 1243 CG GLU A 107 -13.535 2.980 -2.970 1.00 0.00 C ATOM 1244 CD GLU A 107 -13.706 4.429 -3.419 1.00 0.00 C ATOM 1245 OE1 GLU A 107 -13.089 5.291 -2.816 1.00 0.00 O ATOM 1246 OE2 GLU A 107 -14.454 4.653 -4.355 1.00 0.00 O ATOM 0 H GLU A 107 -13.989 1.433 0.285 1.00 0.00 H new ATOM 0 HA GLU A 107 -12.302 0.816 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.963 3.573 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -11.607 3.280 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.131 2.381 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -14.504 2.553 -2.710 1.00 0.00 H new ATOM 1253 N PHE A 108 -10.246 0.918 -0.664 1.00 0.00 N ATOM 1254 CA PHE A 108 -9.101 0.759 0.275 1.00 0.00 C ATOM 1255 C PHE A 108 -8.491 2.126 0.595 1.00 0.00 C ATOM 1256 O PHE A 108 -8.448 3.011 -0.238 1.00 0.00 O ATOM 1257 CB PHE A 108 -8.043 -0.127 -0.375 1.00 0.00 C ATOM 1258 CG PHE A 108 -8.656 -1.460 -0.721 1.00 0.00 C ATOM 1259 CD1 PHE A 108 -8.757 -2.456 0.257 1.00 0.00 C ATOM 1260 CD2 PHE A 108 -9.126 -1.701 -2.018 1.00 0.00 C ATOM 1261 CE1 PHE A 108 -9.328 -3.691 -0.060 1.00 0.00 C ATOM 1262 CE2 PHE A 108 -9.697 -2.939 -2.335 1.00 0.00 C ATOM 1263 CZ PHE A 108 -9.797 -3.932 -1.355 1.00 0.00 C ATOM 0 H PHE A 108 -10.047 0.666 -1.632 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.454 0.302 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -7.653 0.351 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.201 -0.266 0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.394 -2.270 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.048 -0.932 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -9.407 -4.459 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -10.060 -3.127 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.238 -4.887 -1.599 1.00 0.00 H new ATOM 1273 N ASN A 109 -8.015 2.304 1.800 1.00 0.00 N ATOM 1274 CA ASN A 109 -7.400 3.609 2.186 1.00 0.00 C ATOM 1275 C ASN A 109 -6.157 3.348 3.031 1.00 0.00 C ATOM 1276 O ASN A 109 -5.978 2.274 3.572 1.00 0.00 O ATOM 1277 CB ASN A 109 -8.398 4.413 3.013 1.00 0.00 C ATOM 1278 CG ASN A 109 -9.559 4.857 2.126 1.00 0.00 C ATOM 1279 OD1 ASN A 109 -9.401 5.020 0.931 1.00 0.00 O ATOM 1280 ND2 ASN A 109 -10.728 5.058 2.665 1.00 0.00 N ATOM 0 H ASN A 109 -8.026 1.598 2.537 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.130 4.164 1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -8.770 3.809 3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.907 5.283 3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -11.513 5.353 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -10.858 4.921 3.667 1.00 0.00 H new ATOM 1287 N VAL A 110 -5.301 4.332 3.156 1.00 0.00 N ATOM 1288 CA VAL A 110 -4.062 4.170 3.976 1.00 0.00 C ATOM 1289 C VAL A 110 -3.993 5.304 5.000 1.00 0.00 C ATOM 1290 O VAL A 110 -4.193 6.461 4.673 1.00 0.00 O ATOM 1291 CB VAL A 110 -2.836 4.208 3.062 1.00 0.00 C ATOM 1292 CG1 VAL A 110 -2.626 5.622 2.509 1.00 0.00 C ATOM 1293 CG2 VAL A 110 -1.604 3.790 3.863 1.00 0.00 C ATOM 0 H VAL A 110 -5.409 5.248 2.721 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.081 3.213 4.497 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.992 3.524 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.750 5.633 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.504 5.923 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.474 6.317 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.725 3.814 3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.462 4.478 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.745 2.779 4.246 1.00 0.00 H new ATOM 1303 N VAL A 111 -3.722 4.978 6.241 1.00 0.00 N ATOM 1304 CA VAL A 111 -3.648 6.023 7.308 1.00 0.00 C ATOM 1305 C VAL A 111 -2.319 5.896 8.055 1.00 0.00 C ATOM 1306 O VAL A 111 -1.907 4.820 8.448 1.00 0.00 O ATOM 1307 CB VAL A 111 -4.819 5.828 8.275 1.00 0.00 C ATOM 1308 CG1 VAL A 111 -4.613 6.684 9.529 1.00 0.00 C ATOM 1309 CG2 VAL A 111 -6.113 6.260 7.578 1.00 0.00 C ATOM 0 H VAL A 111 -3.548 4.026 6.562 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.707 7.017 6.864 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.878 4.779 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.451 6.538 10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.688 6.388 10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.554 7.735 9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.955 6.126 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.040 7.310 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -6.266 5.652 6.686 1.00 0.00 H new ATOM 1319 N ASP A 112 -1.647 6.998 8.251 1.00 0.00 N ATOM 1320 CA ASP A 112 -0.344 6.967 8.970 1.00 0.00 C ATOM 1321 C ASP A 112 -0.592 6.851 10.478 1.00 0.00 C ATOM 1322 O ASP A 112 -1.462 7.503 11.025 1.00 0.00 O ATOM 1323 CB ASP A 112 0.416 8.263 8.685 1.00 0.00 C ATOM 1324 CG ASP A 112 0.433 8.521 7.178 1.00 0.00 C ATOM 1325 OD1 ASP A 112 -0.295 7.842 6.472 1.00 0.00 O ATOM 1326 OD2 ASP A 112 1.171 9.394 6.753 1.00 0.00 O ATOM 0 H ASP A 112 -1.947 7.922 7.942 1.00 0.00 H new ATOM 0 HA ASP A 112 0.239 6.111 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.058 9.097 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 112 1.435 8.191 9.064 1.00 0.00 H new ATOM 1331 N VAL A 113 0.178 6.034 11.154 1.00 0.00 N ATOM 1332 CA VAL A 113 0.020 5.866 12.633 1.00 0.00 C ATOM 1333 C VAL A 113 1.278 6.398 13.327 1.00 0.00 C ATOM 1334 O VAL A 113 1.494 6.182 14.506 1.00 0.00 O ATOM 1335 CB VAL A 113 -0.168 4.380 12.954 1.00 0.00 C ATOM 1336 CG1 VAL A 113 -1.518 3.917 12.405 1.00 0.00 C ATOM 1337 CG2 VAL A 113 0.949 3.565 12.296 1.00 0.00 C ATOM 0 H VAL A 113 0.919 5.469 10.739 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.851 6.419 12.986 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.135 4.234 14.034 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.659 2.860 12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.317 4.496 12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.542 4.065 11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.812 2.508 12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.916 3.708 11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.915 3.897 12.677 1.00 0.00 H new ATOM 1405 N THR A 119 4.442 8.703 5.986 1.00 0.00 N ATOM 1406 CA THR A 119 4.034 8.208 4.641 1.00 0.00 C ATOM 1407 C THR A 119 3.549 9.372 3.772 1.00 0.00 C ATOM 1408 O THR A 119 2.832 10.247 4.220 1.00 0.00 O ATOM 1409 CB THR A 119 2.911 7.185 4.797 1.00 0.00 C ATOM 1410 OG1 THR A 119 3.286 6.229 5.776 1.00 0.00 O ATOM 1411 CG2 THR A 119 2.668 6.480 3.462 1.00 0.00 C ATOM 0 HA THR A 119 4.893 7.742 4.158 1.00 0.00 H new ATOM 0 HB THR A 119 1.997 7.691 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.773 6.676 6.500 1.00 0.00 H new ATOM 0 HG21 THR A 119 1.866 5.751 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.385 7.215 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.579 5.971 3.148 1.00 0.00 H new ATOM 1419 N TYR A 120 3.929 9.380 2.520 1.00 0.00 N ATOM 1420 CA TYR A 120 3.491 10.474 1.605 1.00 0.00 C ATOM 1421 C TYR A 120 3.167 9.883 0.236 1.00 0.00 C ATOM 1422 O TYR A 120 3.627 8.813 -0.118 1.00 0.00 O ATOM 1423 CB TYR A 120 4.605 11.517 1.467 1.00 0.00 C ATOM 1424 CG TYR A 120 5.883 10.861 1.001 1.00 0.00 C ATOM 1425 CD1 TYR A 120 6.097 10.638 -0.366 1.00 0.00 C ATOM 1426 CD2 TYR A 120 6.861 10.493 1.932 1.00 0.00 C ATOM 1427 CE1 TYR A 120 7.290 10.045 -0.799 1.00 0.00 C ATOM 1428 CE2 TYR A 120 8.055 9.904 1.498 1.00 0.00 C ATOM 1429 CZ TYR A 120 8.270 9.680 0.132 1.00 0.00 C ATOM 1430 OH TYR A 120 9.448 9.102 -0.296 1.00 0.00 O ATOM 0 H TYR A 120 4.526 8.673 2.092 1.00 0.00 H new ATOM 0 HA TYR A 120 2.604 10.957 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.305 12.288 0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.770 12.011 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.343 10.923 -1.085 1.00 0.00 H new ATOM 0 HD2 TYR A 120 6.695 10.663 2.985 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.454 9.869 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.810 9.622 2.217 1.00 0.00 H new ATOM 0 HH TYR A 120 9.342 8.786 -1.218 1.00 0.00 H new ATOM 1440 N VAL A 121 2.366 10.574 -0.532 1.00 0.00 N ATOM 1441 CA VAL A 121 1.977 10.074 -1.884 1.00 0.00 C ATOM 1442 C VAL A 121 2.688 10.897 -2.961 1.00 0.00 C ATOM 1443 O VAL A 121 3.095 12.019 -2.730 1.00 0.00 O ATOM 1444 CB VAL A 121 0.458 10.190 -2.055 1.00 0.00 C ATOM 1445 CG1 VAL A 121 0.000 11.633 -1.829 1.00 0.00 C ATOM 1446 CG2 VAL A 121 0.075 9.749 -3.468 1.00 0.00 C ATOM 0 H VAL A 121 1.960 11.474 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 121 2.270 9.029 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.030 9.550 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.081 11.696 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.267 11.945 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.488 12.287 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.005 9.830 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.574 10.388 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.382 8.714 -3.622 1.00 0.00 H new ATOM 1456 N ASN A 122 2.845 10.338 -4.131 1.00 0.00 N ATOM 1457 CA ASN A 122 3.530 11.071 -5.240 1.00 0.00 C ATOM 1458 C ASN A 122 3.082 12.541 -5.265 1.00 0.00 C ATOM 1459 O ASN A 122 3.866 13.441 -5.502 1.00 0.00 O ATOM 1460 CB ASN A 122 3.136 10.421 -6.564 1.00 0.00 C ATOM 1461 CG ASN A 122 3.739 9.018 -6.662 1.00 0.00 C ATOM 1462 OD1 ASN A 122 4.614 8.628 -5.776 1.00 0.00 O flip ATOM 1463 ND2 ASN A 122 3.403 8.263 -7.555 1.00 0.00 N flip ATOM 0 H ASN A 122 2.527 9.399 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 122 4.608 11.028 -5.088 1.00 0.00 H new ATOM 0 HB2 ASN A 122 2.050 10.365 -6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 122 3.483 11.033 -7.396 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.719 8.566 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 122 3.805 7.327 -7.610 1.00 0.00 H new ATOM 1470 N ARG A 123 1.825 12.788 -5.027 1.00 0.00 N ATOM 1471 CA ARG A 123 1.322 14.193 -5.039 1.00 0.00 C ATOM 1472 C ARG A 123 1.952 14.981 -3.897 1.00 0.00 C ATOM 1473 O ARG A 123 2.990 15.594 -4.051 1.00 0.00 O ATOM 1474 CB ARG A 123 -0.189 14.199 -4.853 1.00 0.00 C ATOM 1475 CG ARG A 123 -0.864 13.634 -6.100 1.00 0.00 C ATOM 1476 CD ARG A 123 -2.382 13.630 -5.901 1.00 0.00 C ATOM 1477 NE ARG A 123 -3.040 13.057 -7.112 1.00 0.00 N ATOM 1478 CZ ARG A 123 -3.339 13.822 -8.130 1.00 0.00 C ATOM 1479 NH1 ARG A 123 -3.056 15.096 -8.101 1.00 0.00 N ATOM 1480 NH2 ARG A 123 -3.918 13.308 -9.180 1.00 0.00 N ATOM 0 H ARG A 123 1.122 12.078 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 123 1.585 14.649 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -0.460 13.605 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.538 15.215 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.602 14.234 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.509 12.621 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -2.643 13.043 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.739 14.645 -5.725 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.258 12.061 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.600 15.499 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.291 15.689 -8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -4.136 12.312 -9.206 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.152 13.902 -9.975 1.00 0.00 H new ATOM 1494 N GLU A 124 1.323 14.987 -2.750 1.00 0.00 N ATOM 1495 CA GLU A 124 1.886 15.752 -1.595 1.00 0.00 C ATOM 1496 C GLU A 124 1.646 14.974 -0.287 1.00 0.00 C ATOM 1497 O GLU A 124 0.641 14.308 -0.146 1.00 0.00 O ATOM 1498 CB GLU A 124 1.215 17.122 -1.496 1.00 0.00 C ATOM 1499 CG GLU A 124 -0.302 16.962 -1.542 1.00 0.00 C ATOM 1500 CD GLU A 124 -0.956 18.329 -1.330 1.00 0.00 C ATOM 1501 OE1 GLU A 124 -0.846 19.160 -2.217 1.00 0.00 O ATOM 1502 OE2 GLU A 124 -1.554 18.523 -0.285 1.00 0.00 O ATOM 0 H GLU A 124 0.448 14.498 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 124 2.957 15.885 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.509 17.615 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.547 17.759 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -0.607 16.544 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.630 16.265 -0.771 1.00 0.00 H new ATOM 1509 N PRO A 125 2.550 15.054 0.674 1.00 0.00 N ATOM 1510 CA PRO A 125 2.391 14.341 1.984 1.00 0.00 C ATOM 1511 C PRO A 125 1.016 14.587 2.629 1.00 0.00 C ATOM 1512 O PRO A 125 0.536 15.703 2.695 1.00 0.00 O ATOM 1513 CB PRO A 125 3.499 14.950 2.859 1.00 0.00 C ATOM 1514 CG PRO A 125 4.551 15.394 1.897 1.00 0.00 C ATOM 1515 CD PRO A 125 3.819 15.810 0.622 1.00 0.00 C ATOM 0 HA PRO A 125 2.461 13.260 1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.123 15.787 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 125 3.893 14.218 3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 125 5.125 16.226 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 125 5.257 14.589 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.642 16.885 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 125 4.396 15.561 -0.269 1.00 0.00 H new ATOM 1523 N VAL A 126 0.376 13.546 3.103 1.00 0.00 N ATOM 1524 CA VAL A 126 -0.965 13.720 3.742 1.00 0.00 C ATOM 1525 C VAL A 126 -1.134 12.750 4.915 1.00 0.00 C ATOM 1526 O VAL A 126 -0.495 11.718 4.990 1.00 0.00 O ATOM 1527 CB VAL A 126 -2.068 13.470 2.706 1.00 0.00 C ATOM 1528 CG1 VAL A 126 -2.141 14.658 1.747 1.00 0.00 C ATOM 1529 CG2 VAL A 126 -1.756 12.201 1.909 1.00 0.00 C ATOM 0 H VAL A 126 0.723 12.587 3.075 1.00 0.00 H new ATOM 0 HA VAL A 126 -1.040 14.740 4.118 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.021 13.349 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.924 14.483 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -2.367 15.565 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -1.184 14.775 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.543 12.029 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -0.801 12.319 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -1.701 11.350 2.587 1.00 0.00 H new ATOM 1539 N ASP A 127 -2.013 13.077 5.825 1.00 0.00 N ATOM 1540 CA ASP A 127 -2.267 12.187 6.993 1.00 0.00 C ATOM 1541 C ASP A 127 -3.049 10.956 6.523 1.00 0.00 C ATOM 1542 O ASP A 127 -3.120 9.947 7.200 1.00 0.00 O ATOM 1543 CB ASP A 127 -3.098 12.954 8.023 1.00 0.00 C ATOM 1544 CG ASP A 127 -2.241 14.047 8.666 1.00 0.00 C ATOM 1545 OD1 ASP A 127 -1.041 14.038 8.444 1.00 0.00 O ATOM 1546 OD2 ASP A 127 -2.799 14.877 9.362 1.00 0.00 O ATOM 0 H ASP A 127 -2.570 13.931 5.808 1.00 0.00 H new ATOM 0 HA ASP A 127 -1.324 11.872 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.970 13.398 7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -3.468 12.271 8.788 1.00 0.00 H new ATOM 1551 N SER A 128 -3.637 11.032 5.363 1.00 0.00 N ATOM 1552 CA SER A 128 -4.416 9.870 4.846 1.00 0.00 C ATOM 1553 C SER A 128 -4.544 9.979 3.327 1.00 0.00 C ATOM 1554 O SER A 128 -4.365 11.035 2.752 1.00 0.00 O ATOM 1555 CB SER A 128 -5.811 9.858 5.475 1.00 0.00 C ATOM 1556 OG SER A 128 -6.519 11.021 5.070 1.00 0.00 O ATOM 0 H SER A 128 -3.613 11.847 4.750 1.00 0.00 H new ATOM 0 HA SER A 128 -3.898 8.947 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.353 8.963 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.732 9.826 6.562 1.00 0.00 H new ATOM 0 HG SER A 128 -7.414 11.015 5.470 1.00 0.00 H new ATOM 1562 N ALA A 129 -4.854 8.896 2.663 1.00 0.00 N ATOM 1563 CA ALA A 129 -4.989 8.955 1.178 1.00 0.00 C ATOM 1564 C ALA A 129 -5.842 7.783 0.687 1.00 0.00 C ATOM 1565 O ALA A 129 -5.914 6.744 1.315 1.00 0.00 O ATOM 1566 CB ALA A 129 -3.602 8.876 0.534 1.00 0.00 C ATOM 0 H ALA A 129 -5.018 7.980 3.081 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.469 9.893 0.900 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -3.701 8.919 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -2.994 9.713 0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.122 7.939 0.817 1.00 0.00 H new ATOM 1572 N VAL A 130 -6.487 7.944 -0.442 1.00 0.00 N ATOM 1573 CA VAL A 130 -7.342 6.850 -0.993 1.00 0.00 C ATOM 1574 C VAL A 130 -6.565 6.084 -2.070 1.00 0.00 C ATOM 1575 O VAL A 130 -6.044 6.657 -3.009 1.00 0.00 O ATOM 1576 CB VAL A 130 -8.595 7.464 -1.610 1.00 0.00 C ATOM 1577 CG1 VAL A 130 -9.387 6.391 -2.362 1.00 0.00 C ATOM 1578 CG2 VAL A 130 -9.466 8.056 -0.501 1.00 0.00 C ATOM 0 H VAL A 130 -6.457 8.792 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 130 -7.621 6.163 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.304 8.248 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.280 6.838 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.767 5.969 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.678 5.601 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -10.362 8.496 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -9.751 7.269 0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -8.906 8.826 0.030 1.00 0.00 H new ATOM 1588 N LEU A 131 -6.488 4.791 -1.935 1.00 0.00 N ATOM 1589 CA LEU A 131 -5.747 3.970 -2.933 1.00 0.00 C ATOM 1590 C LEU A 131 -6.607 3.744 -4.178 1.00 0.00 C ATOM 1591 O LEU A 131 -7.815 3.628 -4.106 1.00 0.00 O ATOM 1592 CB LEU A 131 -5.404 2.630 -2.291 1.00 0.00 C ATOM 1593 CG LEU A 131 -4.616 2.878 -0.999 1.00 0.00 C ATOM 1594 CD1 LEU A 131 -4.329 1.542 -0.308 1.00 0.00 C ATOM 1595 CD2 LEU A 131 -3.291 3.599 -1.313 1.00 0.00 C ATOM 0 H LEU A 131 -6.909 4.263 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.837 4.488 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.315 2.073 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -4.816 2.023 -2.979 1.00 0.00 H new ATOM 0 HG LEU A 131 -5.210 3.508 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -3.769 1.720 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.270 1.047 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -3.744 0.907 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -2.741 3.769 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -2.692 2.983 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.502 4.556 -1.791 1.00 0.00 H new ATOM 1607 N ALA A 132 -5.987 3.675 -5.326 1.00 0.00 N ATOM 1608 CA ALA A 132 -6.755 3.451 -6.582 1.00 0.00 C ATOM 1609 C ALA A 132 -5.860 2.738 -7.598 1.00 0.00 C ATOM 1610 O ALA A 132 -4.652 2.874 -7.584 1.00 0.00 O ATOM 1611 CB ALA A 132 -7.212 4.793 -7.153 1.00 0.00 C ATOM 0 H ALA A 132 -4.978 3.765 -5.447 1.00 0.00 H new ATOM 0 HA ALA A 132 -7.630 2.837 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.774 4.625 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.847 5.300 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.341 5.412 -7.368 1.00 0.00 H new ATOM 1617 N ASN A 133 -6.448 1.969 -8.471 1.00 0.00 N ATOM 1618 CA ASN A 133 -5.648 1.219 -9.489 1.00 0.00 C ATOM 1619 C ASN A 133 -4.609 2.134 -10.156 1.00 0.00 C ATOM 1620 O ASN A 133 -4.929 3.174 -10.702 1.00 0.00 O ATOM 1621 CB ASN A 133 -6.597 0.664 -10.547 1.00 0.00 C ATOM 1622 CG ASN A 133 -5.820 -0.194 -11.546 1.00 0.00 C ATOM 1623 OD1 ASN A 133 -5.363 -1.357 -11.173 1.00 0.00 O flip ATOM 1624 ND2 ASN A 133 -5.633 0.195 -12.683 1.00 0.00 N flip ATOM 0 H ASN A 133 -7.456 1.824 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 133 -5.116 0.407 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -7.376 0.068 -10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -7.094 1.483 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -5.990 1.104 -12.976 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -5.119 -0.388 -13.344 1.00 0.00 H new ATOM 1631 N GLY A 134 -3.361 1.737 -10.114 1.00 0.00 N ATOM 1632 CA GLY A 134 -2.276 2.559 -10.734 1.00 0.00 C ATOM 1633 C GLY A 134 -1.718 3.531 -9.691 1.00 0.00 C ATOM 1634 O GLY A 134 -1.006 4.465 -10.012 1.00 0.00 O ATOM 0 H GLY A 134 -3.045 0.873 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.482 1.912 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.666 3.110 -11.590 1.00 0.00 H new ATOM 1638 N ASP A 135 -2.035 3.324 -8.440 1.00 0.00 N ATOM 1639 CA ASP A 135 -1.520 4.247 -7.381 1.00 0.00 C ATOM 1640 C ASP A 135 -0.146 3.766 -6.900 1.00 0.00 C ATOM 1641 O ASP A 135 0.180 2.599 -6.996 1.00 0.00 O ATOM 1642 CB ASP A 135 -2.507 4.286 -6.209 1.00 0.00 C ATOM 1643 CG ASP A 135 -3.678 5.206 -6.557 1.00 0.00 C ATOM 1644 OD1 ASP A 135 -3.777 5.596 -7.707 1.00 0.00 O ATOM 1645 OD2 ASP A 135 -4.455 5.507 -5.666 1.00 0.00 O ATOM 0 H ASP A 135 -2.624 2.562 -8.105 1.00 0.00 H new ATOM 0 HA ASP A 135 -1.418 5.251 -7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -2.872 3.282 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -2.006 4.643 -5.309 1.00 0.00 H new ATOM 1650 N GLU A 136 0.664 4.664 -6.386 1.00 0.00 N ATOM 1651 CA GLU A 136 2.025 4.278 -5.898 1.00 0.00 C ATOM 1652 C GLU A 136 2.108 4.497 -4.387 1.00 0.00 C ATOM 1653 O GLU A 136 1.672 5.509 -3.871 1.00 0.00 O ATOM 1654 CB GLU A 136 3.076 5.148 -6.584 1.00 0.00 C ATOM 1655 CG GLU A 136 4.473 4.702 -6.143 1.00 0.00 C ATOM 1656 CD GLU A 136 5.529 5.528 -6.876 1.00 0.00 C ATOM 1657 OE1 GLU A 136 5.166 6.533 -7.465 1.00 0.00 O ATOM 1658 OE2 GLU A 136 6.685 5.140 -6.838 1.00 0.00 O ATOM 0 H GLU A 136 0.437 5.653 -6.284 1.00 0.00 H new ATOM 0 HA GLU A 136 2.206 3.228 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 136 2.981 5.066 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 136 2.919 6.196 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 136 4.582 4.826 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.612 3.642 -6.357 1.00 0.00 H new ATOM 1665 N VAL A 137 2.672 3.552 -3.675 1.00 0.00 N ATOM 1666 CA VAL A 137 2.803 3.678 -2.192 1.00 0.00 C ATOM 1667 C VAL A 137 4.262 3.454 -1.797 1.00 0.00 C ATOM 1668 O VAL A 137 4.890 2.504 -2.223 1.00 0.00 O ATOM 1669 CB VAL A 137 1.916 2.630 -1.520 1.00 0.00 C ATOM 1670 CG1 VAL A 137 2.245 2.540 -0.024 1.00 0.00 C ATOM 1671 CG2 VAL A 137 0.453 3.040 -1.697 1.00 0.00 C ATOM 0 H VAL A 137 3.051 2.689 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 137 2.492 4.673 -1.872 1.00 0.00 H new ATOM 0 HB VAL A 137 2.092 1.656 -1.977 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.607 1.790 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.290 2.257 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.072 3.508 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.192 2.301 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.290 4.014 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.217 3.098 -2.760 1.00 0.00 H new ATOM 1681 N GLN A 138 4.801 4.322 -0.977 1.00 0.00 N ATOM 1682 CA GLN A 138 6.220 4.176 -0.531 1.00 0.00 C ATOM 1683 C GLN A 138 6.264 4.046 0.989 1.00 0.00 C ATOM 1684 O GLN A 138 5.805 4.913 1.711 1.00 0.00 O ATOM 1685 CB GLN A 138 7.020 5.408 -0.952 1.00 0.00 C ATOM 1686 CG GLN A 138 8.467 5.249 -0.477 1.00 0.00 C ATOM 1687 CD GLN A 138 9.335 6.354 -1.077 1.00 0.00 C ATOM 1688 OE1 GLN A 138 8.939 7.016 -2.018 1.00 0.00 O ATOM 1689 NE2 GLN A 138 10.516 6.580 -0.572 1.00 0.00 N ATOM 0 H GLN A 138 4.314 5.132 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 138 6.651 3.286 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 138 6.990 5.524 -2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 138 6.579 6.308 -0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 138 8.509 5.292 0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 138 8.851 4.272 -0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 138 10.848 6.025 0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 138 11.108 7.312 -0.966 1.00 0.00 H new ATOM 1698 N ILE A 139 6.825 2.969 1.479 1.00 0.00 N ATOM 1699 CA ILE A 139 6.924 2.756 2.954 1.00 0.00 C ATOM 1700 C ILE A 139 8.382 2.495 3.328 1.00 0.00 C ATOM 1701 O ILE A 139 9.030 1.616 2.789 1.00 0.00 O ATOM 1702 CB ILE A 139 6.071 1.555 3.363 1.00 0.00 C ATOM 1703 CG1 ILE A 139 4.594 1.866 3.102 1.00 0.00 C ATOM 1704 CG2 ILE A 139 6.274 1.273 4.854 1.00 0.00 C ATOM 1705 CD1 ILE A 139 3.761 0.592 3.266 1.00 0.00 C ATOM 0 H ILE A 139 7.223 2.220 0.912 1.00 0.00 H new ATOM 0 HA ILE A 139 6.564 3.644 3.473 1.00 0.00 H new ATOM 0 HB ILE A 139 6.368 0.682 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 139 4.246 2.631 3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.469 2.267 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 139 5.667 0.417 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 139 7.325 1.055 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 139 5.975 2.146 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.711 0.817 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.103 -0.160 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 139 3.876 0.210 4.281 1.00 0.00 H new ATOM 1717 N GLY A 140 8.895 3.244 4.261 1.00 0.00 N ATOM 1718 CA GLY A 140 10.306 3.048 4.704 1.00 0.00 C ATOM 1719 C GLY A 140 11.272 3.132 3.516 1.00 0.00 C ATOM 1720 O GLY A 140 11.198 4.020 2.689 1.00 0.00 O ATOM 0 H GLY A 140 8.394 3.991 4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 140 10.567 3.805 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 140 10.407 2.078 5.191 1.00 0.00 H new ATOM 1724 N LYS A 141 12.193 2.209 3.444 1.00 0.00 N ATOM 1725 CA LYS A 141 13.186 2.212 2.334 1.00 0.00 C ATOM 1726 C LYS A 141 12.661 1.355 1.181 1.00 0.00 C ATOM 1727 O LYS A 141 13.239 1.307 0.112 1.00 0.00 O ATOM 1728 CB LYS A 141 14.508 1.624 2.852 1.00 0.00 C ATOM 1729 CG LYS A 141 14.309 0.148 3.240 1.00 0.00 C ATOM 1730 CD LYS A 141 15.594 -0.410 3.872 1.00 0.00 C ATOM 1731 CE LYS A 141 16.652 -0.674 2.792 1.00 0.00 C ATOM 1732 NZ LYS A 141 17.791 -1.431 3.386 1.00 0.00 N ATOM 0 H LYS A 141 12.300 1.447 4.113 1.00 0.00 H new ATOM 0 HA LYS A 141 13.347 3.230 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 141 15.278 1.707 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 141 14.855 2.192 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 141 13.480 0.057 3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 141 14.045 -0.436 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 141 15.982 0.297 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 141 15.372 -1.334 4.406 1.00 0.00 H new ATOM 0 HE2 LYS A 141 16.214 -1.240 1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 141 17.006 0.269 2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 18.508 -1.610 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 18.214 -0.874 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 17.447 -2.337 3.762 1.00 0.00 H new ATOM 1746 N PHE A 142 11.575 0.660 1.394 1.00 0.00 N ATOM 1747 CA PHE A 142 11.024 -0.216 0.318 1.00 0.00 C ATOM 1748 C PHE A 142 9.938 0.520 -0.469 1.00 0.00 C ATOM 1749 O PHE A 142 9.170 1.290 0.075 1.00 0.00 O ATOM 1750 CB PHE A 142 10.434 -1.470 0.952 1.00 0.00 C ATOM 1751 CG PHE A 142 11.518 -2.195 1.712 1.00 0.00 C ATOM 1752 CD1 PHE A 142 11.808 -1.835 3.033 1.00 0.00 C ATOM 1753 CD2 PHE A 142 12.239 -3.221 1.092 1.00 0.00 C ATOM 1754 CE1 PHE A 142 12.818 -2.504 3.734 1.00 0.00 C ATOM 1755 CE2 PHE A 142 13.249 -3.890 1.793 1.00 0.00 C ATOM 1756 CZ PHE A 142 13.538 -3.531 3.115 1.00 0.00 C ATOM 0 H PHE A 142 11.046 0.661 2.266 1.00 0.00 H new ATOM 0 HA PHE A 142 11.827 -0.486 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 142 9.618 -1.204 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 142 10.015 -2.119 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 142 11.253 -1.042 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 142 12.016 -3.497 0.072 1.00 0.00 H new ATOM 0 HE1 PHE A 142 13.042 -2.227 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 142 13.805 -4.683 1.314 1.00 0.00 H new ATOM 0 HZ PHE A 142 14.317 -4.047 3.657 1.00 0.00 H new ATOM 1766 N ARG A 143 9.874 0.280 -1.757 1.00 0.00 N ATOM 1767 CA ARG A 143 8.847 0.949 -2.615 1.00 0.00 C ATOM 1768 C ARG A 143 7.791 -0.077 -3.028 1.00 0.00 C ATOM 1769 O ARG A 143 8.105 -1.197 -3.383 1.00 0.00 O ATOM 1770 CB ARG A 143 9.530 1.507 -3.861 1.00 0.00 C ATOM 1771 CG ARG A 143 10.519 2.598 -3.448 1.00 0.00 C ATOM 1772 CD ARG A 143 11.265 3.117 -4.680 1.00 0.00 C ATOM 1773 NE ARG A 143 10.316 3.857 -5.561 1.00 0.00 N ATOM 1774 CZ ARG A 143 10.711 4.336 -6.711 1.00 0.00 C ATOM 1775 NH1 ARG A 143 11.942 4.165 -7.110 1.00 0.00 N ATOM 1776 NH2 ARG A 143 9.870 4.990 -7.465 1.00 0.00 N ATOM 0 H ARG A 143 10.496 -0.357 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 143 8.370 1.759 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.050 0.710 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.786 1.914 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.989 3.417 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 143 11.229 2.202 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.081 3.772 -4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 143 11.711 2.285 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 143 9.350 3.990 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.602 3.655 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.244 4.541 -8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 143 8.907 5.126 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 143 10.175 5.365 -8.363 1.00 0.00 H new ATOM 1790 N LEU A 144 6.536 0.294 -2.980 1.00 0.00 N ATOM 1791 CA LEU A 144 5.447 -0.654 -3.362 1.00 0.00 C ATOM 1792 C LEU A 144 4.450 0.053 -4.271 1.00 0.00 C ATOM 1793 O LEU A 144 4.299 1.259 -4.228 1.00 0.00 O ATOM 1794 CB LEU A 144 4.722 -1.136 -2.106 1.00 0.00 C ATOM 1795 CG LEU A 144 5.690 -1.951 -1.210 1.00 0.00 C ATOM 1796 CD1 LEU A 144 6.341 -1.039 -0.161 1.00 0.00 C ATOM 1797 CD2 LEU A 144 4.921 -3.067 -0.491 1.00 0.00 C ATOM 0 H LEU A 144 6.218 1.219 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 144 5.882 -1.506 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 144 4.333 -0.282 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 144 3.867 -1.752 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 144 6.464 -2.384 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 144 7.018 -1.625 0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 144 6.901 -0.249 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.567 -0.594 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.607 -3.636 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 144 4.140 -2.629 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 144 4.469 -3.731 -1.228 1.00 0.00 H new ATOM 1809 N VAL A 145 3.762 -0.698 -5.091 1.00 0.00 N ATOM 1810 CA VAL A 145 2.756 -0.100 -6.018 1.00 0.00 C ATOM 1811 C VAL A 145 1.399 -0.763 -5.786 1.00 0.00 C ATOM 1812 O VAL A 145 1.298 -1.971 -5.631 1.00 0.00 O ATOM 1813 CB VAL A 145 3.209 -0.319 -7.464 1.00 0.00 C ATOM 1814 CG1 VAL A 145 3.122 -1.802 -7.823 1.00 0.00 C ATOM 1815 CG2 VAL A 145 2.310 0.487 -8.402 1.00 0.00 C ATOM 0 H VAL A 145 3.856 -1.711 -5.158 1.00 0.00 H new ATOM 0 HA VAL A 145 2.667 0.970 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 145 4.243 0.011 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 145 3.446 -1.947 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 145 3.765 -2.376 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 145 2.092 -2.143 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 145 2.629 0.334 -9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 145 1.277 0.157 -8.289 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.381 1.546 -8.154 1.00 0.00 H new ATOM 1825 N PHE A 146 0.354 0.025 -5.747 1.00 0.00 N ATOM 1826 CA PHE A 146 -1.007 -0.533 -5.517 1.00 0.00 C ATOM 1827 C PHE A 146 -1.667 -0.826 -6.864 1.00 0.00 C ATOM 1828 O PHE A 146 -1.968 0.077 -7.637 1.00 0.00 O ATOM 1829 CB PHE A 146 -1.841 0.491 -4.747 1.00 0.00 C ATOM 1830 CG PHE A 146 -3.278 0.031 -4.669 1.00 0.00 C ATOM 1831 CD1 PHE A 146 -4.178 0.359 -5.690 1.00 0.00 C ATOM 1832 CD2 PHE A 146 -3.710 -0.727 -3.576 1.00 0.00 C ATOM 1833 CE1 PHE A 146 -5.508 -0.074 -5.617 1.00 0.00 C ATOM 1834 CE2 PHE A 146 -5.038 -1.158 -3.503 1.00 0.00 C ATOM 1835 CZ PHE A 146 -5.938 -0.833 -4.524 1.00 0.00 C ATOM 0 H PHE A 146 0.389 1.037 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.939 -1.456 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -1.437 0.621 -3.743 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.787 1.461 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -3.847 0.946 -6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -3.017 -0.980 -2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -6.202 0.178 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -5.370 -1.742 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 146 -6.963 -1.168 -4.468 1.00 0.00 H new ATOM 1845 N LEU A 147 -1.892 -2.088 -7.145 1.00 0.00 N ATOM 1846 CA LEU A 147 -2.526 -2.483 -8.437 1.00 0.00 C ATOM 1847 C LEU A 147 -3.573 -3.566 -8.189 1.00 0.00 C ATOM 1848 O LEU A 147 -3.446 -4.386 -7.299 1.00 0.00 O ATOM 1849 CB LEU A 147 -1.453 -3.025 -9.383 1.00 0.00 C ATOM 1850 CG LEU A 147 -0.471 -1.905 -9.755 1.00 0.00 C ATOM 1851 CD1 LEU A 147 0.706 -2.505 -10.529 1.00 0.00 C ATOM 1852 CD2 LEU A 147 -1.169 -0.836 -10.619 1.00 0.00 C ATOM 0 H LEU A 147 -1.660 -2.866 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 147 -3.006 -1.612 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.918 -3.847 -8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -1.918 -3.426 -10.283 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.112 -1.431 -8.842 1.00 0.00 H new ATOM 0 HD11 LEU A 147 1.407 -1.714 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 147 1.212 -3.243 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 147 0.338 -2.985 -11.436 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.457 -0.051 -10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.543 -1.295 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -2.001 -0.405 -10.063 1.00 0.00 H new ATOM 1864 N THR A 148 -4.611 -3.570 -8.979 1.00 0.00 N ATOM 1865 CA THR A 148 -5.686 -4.589 -8.813 1.00 0.00 C ATOM 1866 C THR A 148 -5.378 -5.821 -9.671 1.00 0.00 C ATOM 1867 O THR A 148 -4.506 -5.800 -10.520 1.00 0.00 O ATOM 1868 CB THR A 148 -7.016 -3.986 -9.261 1.00 0.00 C ATOM 1869 OG1 THR A 148 -6.953 -3.700 -10.651 1.00 0.00 O ATOM 1870 CG2 THR A 148 -7.280 -2.695 -8.485 1.00 0.00 C ATOM 0 H THR A 148 -4.762 -2.906 -9.738 1.00 0.00 H new ATOM 0 HA THR A 148 -5.742 -4.887 -7.766 1.00 0.00 H new ATOM 0 HB THR A 148 -7.823 -4.693 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 148 -6.434 -2.881 -10.793 1.00 0.00 H new ATOM 0 HG21 THR A 148 -8.229 -2.266 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 148 -7.323 -2.914 -7.418 1.00 0.00 H new ATOM 0 HG23 THR A 148 -6.477 -1.984 -8.678 1.00 0.00 H new