USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 641 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -39:sc= 1.11 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -154:sc=-0.00329 (180deg=-0.324) USER MOD Single : A 8 ASN : amide:sc= -7.42! K(o=-7.4!,f=-0.19) USER MOD Single : A 10 LYS NZ :NH3+ 149:sc= -0.111 (180deg=-0.743) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.654 (180deg=0.0738) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0164) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 83:sc= 0.634 USER MOD Single : A 27 THR OG1 : rot -160:sc= -2.17 USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= 1.13 (180deg=-0.0183) USER MOD Single : A 29 THR OG1 : rot -17:sc= -2! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 36 SER OG : rot -84:sc= 0.748 USER MOD Single : A 37 CYS SG : rot -80:sc= -1.13 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -4.86! C(o=-4.9!,f=-6.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 102:sc= 0.168 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -0.971 (180deg=-1.09) USER MOD Single : A 52 GLN : amide:sc= -6.75! C(o=-6.7!,f=-4.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -21:sc= -4.22! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 93:sc= 1.2 USER MOD Single : A 74 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0325) USER MOD Single : A 77 SER OG : rot 3:sc= 0.546 USER MOD Single : A 78 THR OG1 : rot -27:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.614 -20.425 2.969 1.00 0.00 N ATOM 2 CA MET A 1 -1.327 -19.778 3.355 1.00 0.00 C ATOM 3 C MET A 1 -0.548 -19.412 2.097 1.00 0.00 C ATOM 4 O MET A 1 0.273 -20.193 1.614 1.00 0.00 O ATOM 5 CB MET A 1 -0.511 -20.747 4.213 1.00 0.00 C ATOM 6 CG MET A 1 0.771 -20.056 4.685 1.00 0.00 C ATOM 7 SD MET A 1 1.488 -20.990 6.059 1.00 0.00 S ATOM 8 CE MET A 1 0.611 -20.139 7.394 1.00 0.00 C ATOM 0 H1 MET A 1 -3.147 -20.676 3.826 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.175 -19.766 2.393 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.419 -21.286 2.419 1.00 0.00 H new ATOM 0 HA MET A 1 -1.526 -18.872 3.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.099 -21.072 5.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.265 -21.640 3.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.485 -19.990 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.552 -19.036 5.000 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.908 -20.564 8.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.860 -19.078 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.464 -20.262 7.260 1.00 0.00 H new ATOM 20 N VAL A 2 -0.810 -18.219 1.570 1.00 0.00 N ATOM 21 CA VAL A 2 -0.127 -17.754 0.365 1.00 0.00 C ATOM 22 C VAL A 2 0.969 -16.762 0.723 1.00 0.00 C ATOM 23 O VAL A 2 0.748 -15.801 1.459 1.00 0.00 O ATOM 24 CB VAL A 2 -1.142 -17.125 -0.615 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.527 -17.068 0.034 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.720 -15.702 -1.010 1.00 0.00 C ATOM 0 H VAL A 2 -1.486 -17.560 1.955 1.00 0.00 H new ATOM 0 HA VAL A 2 0.339 -18.609 -0.126 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.172 -17.747 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.237 -16.623 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.851 -18.077 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.480 -16.463 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.453 -15.284 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.664 -15.078 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.257 -15.733 -1.493 1.00 0.00 H new ATOM 36 N SER A 3 2.149 -17.008 0.177 1.00 0.00 N ATOM 37 CA SER A 3 3.301 -16.149 0.404 1.00 0.00 C ATOM 38 C SER A 3 3.492 -15.236 -0.797 1.00 0.00 C ATOM 39 O SER A 3 3.393 -15.678 -1.938 1.00 0.00 O ATOM 40 CB SER A 3 4.556 -16.997 0.613 1.00 0.00 C ATOM 41 OG SER A 3 4.482 -17.640 1.878 1.00 0.00 O ATOM 0 H SER A 3 2.335 -17.804 -0.433 1.00 0.00 H new ATOM 0 HA SER A 3 3.130 -15.548 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.644 -17.739 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.446 -16.369 0.563 1.00 0.00 H new ATOM 0 HG SER A 3 4.095 -17.025 2.535 1.00 0.00 H new ATOM 47 N LEU A 4 3.748 -13.960 -0.541 1.00 0.00 N ATOM 48 CA LEU A 4 3.928 -13.005 -1.627 1.00 0.00 C ATOM 49 C LEU A 4 5.170 -12.162 -1.419 1.00 0.00 C ATOM 50 O LEU A 4 5.806 -12.208 -0.368 1.00 0.00 O ATOM 51 CB LEU A 4 2.712 -12.088 -1.719 1.00 0.00 C ATOM 52 CG LEU A 4 1.462 -12.940 -1.922 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.217 -12.061 -1.789 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.498 -13.594 -3.312 1.00 0.00 C ATOM 0 H LEU A 4 3.835 -13.566 0.396 1.00 0.00 H new ATOM 0 HA LEU A 4 4.042 -13.570 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.619 -11.494 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.830 -11.389 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 4 1.430 -13.723 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.675 -12.670 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.193 -11.612 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.245 -11.274 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.604 -14.201 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.534 -12.819 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.382 -14.226 -3.394 1.00 0.00 H new ATOM 66 N THR A 5 5.496 -11.388 -2.441 1.00 0.00 N ATOM 67 CA THR A 5 6.665 -10.512 -2.388 1.00 0.00 C ATOM 68 C THR A 5 6.314 -9.110 -2.869 1.00 0.00 C ATOM 69 O THR A 5 5.930 -8.918 -4.022 1.00 0.00 O ATOM 70 CB THR A 5 7.795 -11.070 -3.261 1.00 0.00 C ATOM 71 OG1 THR A 5 8.471 -12.101 -2.556 1.00 0.00 O ATOM 72 CG2 THR A 5 8.786 -9.947 -3.605 1.00 0.00 C ATOM 0 H THR A 5 4.973 -11.345 -3.316 1.00 0.00 H new ATOM 0 HA THR A 5 6.995 -10.464 -1.350 1.00 0.00 H new ATOM 0 HB THR A 5 7.375 -11.474 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.193 -12.460 -3.114 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.588 -10.347 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.267 -9.157 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.207 -9.539 -2.686 1.00 0.00 H new ATOM 80 N PHE A 6 6.473 -8.133 -1.987 1.00 0.00 N ATOM 81 CA PHE A 6 6.193 -6.748 -2.343 1.00 0.00 C ATOM 82 C PHE A 6 7.500 -6.031 -2.661 1.00 0.00 C ATOM 83 O PHE A 6 8.357 -5.884 -1.790 1.00 0.00 O ATOM 84 CB PHE A 6 5.473 -6.047 -1.193 1.00 0.00 C ATOM 85 CG PHE A 6 4.089 -6.633 -1.044 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.921 -7.884 -0.440 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.976 -5.928 -1.517 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.640 -8.430 -0.306 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.695 -6.476 -1.384 1.00 0.00 C ATOM 90 CZ PHE A 6 1.526 -7.726 -0.779 1.00 0.00 C ATOM 0 H PHE A 6 6.792 -8.271 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 6 5.549 -6.725 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.035 -6.170 -0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.409 -4.976 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.780 -8.428 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.106 -4.963 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.510 -9.395 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.836 -5.933 -1.749 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.537 -8.148 -0.677 1.00 0.00 H new ATOM 100 N LYS A 7 7.660 -5.603 -3.914 1.00 0.00 N ATOM 101 CA LYS A 7 8.889 -4.924 -4.325 1.00 0.00 C ATOM 102 C LYS A 7 8.613 -3.487 -4.755 1.00 0.00 C ATOM 103 O LYS A 7 7.555 -3.180 -5.303 1.00 0.00 O ATOM 104 CB LYS A 7 9.550 -5.695 -5.475 1.00 0.00 C ATOM 105 CG LYS A 7 8.787 -5.447 -6.786 1.00 0.00 C ATOM 106 CD LYS A 7 9.321 -4.185 -7.494 1.00 0.00 C ATOM 107 CE LYS A 7 10.002 -4.577 -8.810 1.00 0.00 C ATOM 108 NZ LYS A 7 11.146 -5.489 -8.526 1.00 0.00 N ATOM 0 H LYS A 7 6.965 -5.712 -4.652 1.00 0.00 H new ATOM 0 HA LYS A 7 9.563 -4.896 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.588 -5.381 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.562 -6.761 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.891 -6.311 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.723 -5.331 -6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.502 -3.493 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.029 -3.666 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.287 -5.068 -9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.354 -3.686 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.850 -5.410 -9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.584 -5.225 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.803 -6.469 -8.471 1.00 0.00 H new ATOM 122 N ASN A 8 9.584 -2.612 -4.500 1.00 0.00 N ATOM 123 CA ASN A 8 9.461 -1.201 -4.857 1.00 0.00 C ATOM 124 C ASN A 8 10.550 -0.804 -5.853 1.00 0.00 C ATOM 125 O ASN A 8 11.187 -1.662 -6.464 1.00 0.00 O ATOM 126 CB ASN A 8 9.571 -0.341 -3.596 1.00 0.00 C ATOM 127 CG ASN A 8 10.691 -0.867 -2.705 1.00 0.00 C ATOM 128 OD1 ASN A 8 10.658 -0.682 -1.488 1.00 0.00 O ATOM 129 ND2 ASN A 8 11.687 -1.518 -3.241 1.00 0.00 N ATOM 0 H ASN A 8 10.465 -2.856 -4.047 1.00 0.00 H new ATOM 0 HA ASN A 8 8.489 -1.040 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.768 0.696 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.626 -0.354 -3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.439 -1.874 -2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.713 -1.671 -4.249 1.00 0.00 H new ATOM 136 N PHE A 9 10.755 0.500 -6.015 1.00 0.00 N ATOM 137 CA PHE A 9 11.764 0.998 -6.942 1.00 0.00 C ATOM 138 C PHE A 9 13.166 0.823 -6.362 1.00 0.00 C ATOM 139 O PHE A 9 14.157 1.197 -6.989 1.00 0.00 O ATOM 140 CB PHE A 9 11.512 2.482 -7.239 1.00 0.00 C ATOM 141 CG PHE A 9 10.555 2.621 -8.403 1.00 0.00 C ATOM 142 CD1 PHE A 9 9.452 1.764 -8.513 1.00 0.00 C ATOM 143 CD2 PHE A 9 10.770 3.610 -9.370 1.00 0.00 C ATOM 144 CE1 PHE A 9 8.568 1.896 -9.591 1.00 0.00 C ATOM 145 CE2 PHE A 9 9.885 3.742 -10.447 1.00 0.00 C ATOM 146 CZ PHE A 9 8.785 2.886 -10.557 1.00 0.00 C ATOM 0 H PHE A 9 10.239 1.227 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 9 11.695 0.424 -7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.099 2.973 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.454 2.980 -7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.284 1.002 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.619 4.272 -9.285 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.719 1.234 -9.677 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.052 4.505 -11.193 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.102 2.988 -11.388 1.00 0.00 H new ATOM 156 N LYS A 10 13.245 0.249 -5.164 1.00 0.00 N ATOM 157 CA LYS A 10 14.535 0.027 -4.517 1.00 0.00 C ATOM 158 C LYS A 10 15.052 -1.364 -4.858 1.00 0.00 C ATOM 159 O LYS A 10 16.089 -1.796 -4.356 1.00 0.00 O ATOM 160 CB LYS A 10 14.397 0.163 -2.998 1.00 0.00 C ATOM 161 CG LYS A 10 13.733 1.502 -2.653 1.00 0.00 C ATOM 162 CD LYS A 10 14.700 2.665 -2.943 1.00 0.00 C ATOM 163 CE LYS A 10 14.206 3.464 -4.152 1.00 0.00 C ATOM 164 NZ LYS A 10 12.881 4.069 -3.840 1.00 0.00 N ATOM 0 H LYS A 10 12.439 -0.068 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 10 15.240 0.775 -4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.802 -0.661 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.378 0.102 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.820 1.624 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.444 1.513 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.772 3.315 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.701 2.278 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.924 4.245 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.125 2.813 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.779 4.967 -4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.125 3.416 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.813 4.247 -2.818 1.00 0.00 H new ATOM 178 N LYS A 11 14.312 -2.056 -5.715 1.00 0.00 N ATOM 179 CA LYS A 11 14.683 -3.402 -6.132 1.00 0.00 C ATOM 180 C LYS A 11 14.709 -4.353 -4.938 1.00 0.00 C ATOM 181 O LYS A 11 15.211 -5.472 -5.037 1.00 0.00 O ATOM 182 CB LYS A 11 16.056 -3.391 -6.813 1.00 0.00 C ATOM 183 CG LYS A 11 16.042 -2.414 -8.003 1.00 0.00 C ATOM 184 CD LYS A 11 17.075 -1.305 -7.778 1.00 0.00 C ATOM 185 CE LYS A 11 17.143 -0.413 -9.019 1.00 0.00 C ATOM 186 NZ LYS A 11 15.833 0.273 -9.211 1.00 0.00 N ATOM 0 H LYS A 11 13.451 -1.707 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 11 13.934 -3.752 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.824 -3.096 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.309 -4.394 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.264 -2.949 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.049 -1.980 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.803 -0.712 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.054 -1.740 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.938 0.324 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.384 -1.012 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.975 1.145 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.183 -0.357 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.426 0.510 -8.284 1.00 0.00 H new ATOM 200 N GLU A 12 14.157 -3.905 -3.814 1.00 0.00 N ATOM 201 CA GLU A 12 14.115 -4.731 -2.610 1.00 0.00 C ATOM 202 C GLU A 12 12.760 -5.416 -2.488 1.00 0.00 C ATOM 203 O GLU A 12 11.721 -4.797 -2.710 1.00 0.00 O ATOM 204 CB GLU A 12 14.362 -3.871 -1.368 1.00 0.00 C ATOM 205 CG GLU A 12 15.662 -3.079 -1.537 1.00 0.00 C ATOM 206 CD GLU A 12 16.160 -2.598 -0.178 1.00 0.00 C ATOM 207 OE1 GLU A 12 15.340 -2.160 0.611 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.355 -2.677 0.054 1.00 0.00 O ATOM 0 H GLU A 12 13.735 -2.982 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 12 14.896 -5.488 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.526 -3.188 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.423 -4.504 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.419 -3.704 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.495 -2.226 -2.195 1.00 0.00 H new ATOM 215 N LYS A 13 12.778 -6.697 -2.136 1.00 0.00 N ATOM 216 CA LYS A 13 11.546 -7.462 -1.988 1.00 0.00 C ATOM 217 C LYS A 13 11.219 -7.667 -0.512 1.00 0.00 C ATOM 218 O LYS A 13 12.102 -7.953 0.297 1.00 0.00 O ATOM 219 CB LYS A 13 11.694 -8.826 -2.679 1.00 0.00 C ATOM 220 CG LYS A 13 13.162 -9.275 -2.648 1.00 0.00 C ATOM 221 CD LYS A 13 13.909 -8.714 -3.868 1.00 0.00 C ATOM 222 CE LYS A 13 13.737 -9.658 -5.060 1.00 0.00 C ATOM 223 NZ LYS A 13 14.689 -10.797 -4.933 1.00 0.00 N ATOM 0 H LYS A 13 13.630 -7.226 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 13 10.733 -6.905 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.068 -9.566 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.347 -8.760 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.637 -8.930 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.218 -10.364 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.525 -7.725 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.967 -8.596 -3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.713 -10.029 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.917 -9.121 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.296 -11.633 -5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.596 -10.542 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.841 -11.012 -3.927 1.00 0.00 H new ATOM 237 N VAL A 14 9.941 -7.518 -0.175 1.00 0.00 N ATOM 238 CA VAL A 14 9.490 -7.689 1.204 1.00 0.00 C ATOM 239 C VAL A 14 8.515 -8.861 1.300 1.00 0.00 C ATOM 240 O VAL A 14 7.301 -8.679 1.188 1.00 0.00 O ATOM 241 CB VAL A 14 8.796 -6.412 1.684 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.479 -6.531 3.176 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.720 -5.214 1.454 1.00 0.00 C ATOM 0 H VAL A 14 9.201 -7.280 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 14 10.357 -7.893 1.832 1.00 0.00 H new ATOM 0 HB VAL A 14 7.870 -6.271 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.985 -5.621 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.822 -7.385 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.404 -6.672 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.227 -4.304 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.646 -5.356 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.946 -5.128 0.391 1.00 0.00 H new ATOM 253 N PRO A 15 9.018 -10.054 1.495 1.00 0.00 N ATOM 254 CA PRO A 15 8.170 -11.277 1.600 1.00 0.00 C ATOM 255 C PRO A 15 7.068 -11.135 2.646 1.00 0.00 C ATOM 256 O PRO A 15 7.270 -10.536 3.702 1.00 0.00 O ATOM 257 CB PRO A 15 9.154 -12.381 1.992 1.00 0.00 C ATOM 258 CG PRO A 15 10.495 -11.895 1.549 1.00 0.00 C ATOM 259 CD PRO A 15 10.449 -10.369 1.634 1.00 0.00 C ATOM 0 HA PRO A 15 7.646 -11.482 0.667 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.136 -12.559 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.899 -13.324 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.284 -12.296 2.186 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.710 -12.221 0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.848 -10.009 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.039 -9.906 0.843 1.00 0.00 H new ATOM 267 N LEU A 16 5.906 -11.700 2.339 1.00 0.00 N ATOM 268 CA LEU A 16 4.764 -11.648 3.247 1.00 0.00 C ATOM 269 C LEU A 16 3.890 -12.885 3.077 1.00 0.00 C ATOM 270 O LEU A 16 4.054 -13.648 2.129 1.00 0.00 O ATOM 271 CB LEU A 16 3.915 -10.402 2.959 1.00 0.00 C ATOM 272 CG LEU A 16 4.566 -9.159 3.571 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.785 -7.914 3.135 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.558 -9.258 5.106 1.00 0.00 C ATOM 0 H LEU A 16 5.729 -12.200 1.468 1.00 0.00 H new ATOM 0 HA LEU A 16 5.145 -11.609 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.805 -10.270 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.913 -10.534 3.368 1.00 0.00 H new ATOM 0 HG LEU A 16 5.598 -9.089 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.245 -7.026 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.801 -7.837 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.754 -7.993 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.024 -8.368 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.530 -9.334 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.115 -10.142 5.416 1.00 0.00 H new ATOM 286 N ASP A 17 2.948 -13.057 3.996 1.00 0.00 N ATOM 287 CA ASP A 17 2.020 -14.184 3.943 1.00 0.00 C ATOM 288 C ASP A 17 0.625 -13.708 4.321 1.00 0.00 C ATOM 289 O ASP A 17 0.446 -13.032 5.333 1.00 0.00 O ATOM 290 CB ASP A 17 2.452 -15.289 4.901 1.00 0.00 C ATOM 291 CG ASP A 17 3.889 -15.708 4.606 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.770 -14.877 4.752 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.087 -16.854 4.237 1.00 0.00 O ATOM 0 H ASP A 17 2.805 -12.431 4.788 1.00 0.00 H new ATOM 0 HA ASP A 17 2.018 -14.584 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.371 -14.940 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.787 -16.147 4.802 1.00 0.00 H new ATOM 298 N LEU A 18 -0.358 -14.048 3.497 1.00 0.00 N ATOM 299 CA LEU A 18 -1.734 -13.625 3.754 1.00 0.00 C ATOM 300 C LEU A 18 -2.727 -14.750 3.497 1.00 0.00 C ATOM 301 O LEU A 18 -2.348 -15.873 3.164 1.00 0.00 O ATOM 302 CB LEU A 18 -2.081 -12.445 2.849 1.00 0.00 C ATOM 303 CG LEU A 18 -1.290 -11.201 3.283 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.445 -10.693 2.114 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.266 -10.110 3.725 1.00 0.00 C ATOM 0 H LEU A 18 -0.234 -14.609 2.654 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.803 -13.339 4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.849 -12.690 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.151 -12.241 2.897 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.632 -11.460 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.114 -9.811 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.250 -11.472 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.097 -10.433 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.708 -9.226 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.924 -9.852 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.863 -10.473 4.562 1.00 0.00 H new ATOM 317 N GLU A 19 -4.009 -14.423 3.651 1.00 0.00 N ATOM 318 CA GLU A 19 -5.081 -15.390 3.434 1.00 0.00 C ATOM 319 C GLU A 19 -6.070 -14.841 2.402 1.00 0.00 C ATOM 320 O GLU A 19 -6.159 -13.630 2.204 1.00 0.00 O ATOM 321 CB GLU A 19 -5.805 -15.673 4.761 1.00 0.00 C ATOM 322 CG GLU A 19 -5.016 -15.063 5.922 1.00 0.00 C ATOM 323 CD GLU A 19 -5.639 -15.477 7.250 1.00 0.00 C ATOM 324 OE1 GLU A 19 -6.719 -14.997 7.551 1.00 0.00 O ATOM 325 OE2 GLU A 19 -5.026 -16.269 7.949 1.00 0.00 O ATOM 0 H GLU A 19 -4.330 -13.494 3.926 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.656 -16.321 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.811 -15.255 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.911 -16.748 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.978 -15.392 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.010 -13.976 5.837 1.00 0.00 H new ATOM 332 N PRO A 20 -6.810 -15.698 1.752 1.00 0.00 N ATOM 333 CA PRO A 20 -7.812 -15.277 0.730 1.00 0.00 C ATOM 334 C PRO A 20 -8.753 -14.205 1.267 1.00 0.00 C ATOM 335 O PRO A 20 -9.278 -13.389 0.511 1.00 0.00 O ATOM 336 CB PRO A 20 -8.591 -16.563 0.401 1.00 0.00 C ATOM 337 CG PRO A 20 -8.133 -17.605 1.377 1.00 0.00 C ATOM 338 CD PRO A 20 -6.779 -17.153 1.916 1.00 0.00 C ATOM 0 HA PRO A 20 -7.332 -14.837 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.665 -16.398 0.487 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.398 -16.881 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.853 -17.715 2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.049 -18.577 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.649 -17.436 2.961 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.956 -17.602 1.359 1.00 0.00 H new ATOM 346 N SER A 21 -8.969 -14.225 2.576 1.00 0.00 N ATOM 347 CA SER A 21 -9.864 -13.256 3.204 1.00 0.00 C ATOM 348 C SER A 21 -9.147 -11.938 3.471 1.00 0.00 C ATOM 349 O SER A 21 -9.768 -10.876 3.447 1.00 0.00 O ATOM 350 CB SER A 21 -10.406 -13.820 4.517 1.00 0.00 C ATOM 351 OG SER A 21 -9.330 -14.014 5.425 1.00 0.00 O ATOM 0 H SER A 21 -8.543 -14.893 3.219 1.00 0.00 H new ATOM 0 HA SER A 21 -10.690 -13.066 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.139 -13.136 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.919 -14.765 4.336 1.00 0.00 H new ATOM 0 HG SER A 21 -9.675 -14.374 6.269 1.00 0.00 H new ATOM 357 N ASN A 22 -7.841 -11.999 3.701 1.00 0.00 N ATOM 358 CA ASN A 22 -7.081 -10.784 3.939 1.00 0.00 C ATOM 359 C ASN A 22 -7.211 -9.890 2.722 1.00 0.00 C ATOM 360 O ASN A 22 -7.200 -10.371 1.588 1.00 0.00 O ATOM 361 CB ASN A 22 -5.606 -11.108 4.191 1.00 0.00 C ATOM 362 CG ASN A 22 -5.358 -11.408 5.670 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.249 -11.789 6.046 1.00 0.00 O ATOM 364 ND2 ASN A 22 -6.324 -11.261 6.536 1.00 0.00 N ATOM 0 H ASN A 22 -7.297 -12.861 3.727 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.471 -10.279 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.310 -11.966 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.986 -10.268 3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.160 -11.462 7.522 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.243 -10.945 6.226 1.00 0.00 H new ATOM 371 N THR A 23 -7.357 -8.596 2.953 1.00 0.00 N ATOM 372 CA THR A 23 -7.514 -7.659 1.849 1.00 0.00 C ATOM 373 C THR A 23 -6.470 -6.557 1.892 1.00 0.00 C ATOM 374 O THR A 23 -5.881 -6.267 2.933 1.00 0.00 O ATOM 375 CB THR A 23 -8.923 -7.051 1.873 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.842 -5.647 1.667 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.583 -7.333 3.221 1.00 0.00 C ATOM 0 H THR A 23 -7.370 -8.173 3.881 1.00 0.00 H new ATOM 0 HA THR A 23 -7.372 -8.213 0.921 1.00 0.00 H new ATOM 0 HB THR A 23 -9.520 -7.499 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.783 -5.460 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.583 -6.900 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.652 -8.410 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.986 -6.891 4.018 1.00 0.00 H new ATOM 385 N ILE A 24 -6.255 -5.957 0.730 1.00 0.00 N ATOM 386 CA ILE A 24 -5.294 -4.887 0.572 1.00 0.00 C ATOM 387 C ILE A 24 -5.248 -3.998 1.802 1.00 0.00 C ATOM 388 O ILE A 24 -4.181 -3.559 2.217 1.00 0.00 O ATOM 389 CB ILE A 24 -5.690 -4.055 -0.648 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.911 -4.956 -1.878 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.601 -3.038 -0.946 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.907 -6.109 -1.894 1.00 0.00 C ATOM 0 H ILE A 24 -6.746 -6.203 -0.129 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.303 -5.320 0.437 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.624 -3.539 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.926 -5.352 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.809 -4.367 -2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.885 -2.446 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.472 -2.381 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.664 -3.557 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.082 -6.732 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.894 -5.709 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.028 -6.710 -0.993 1.00 0.00 H new ATOM 404 N LEU A 25 -6.403 -3.737 2.381 1.00 0.00 N ATOM 405 CA LEU A 25 -6.460 -2.903 3.564 1.00 0.00 C ATOM 406 C LEU A 25 -5.491 -3.439 4.609 1.00 0.00 C ATOM 407 O LEU A 25 -4.720 -2.686 5.203 1.00 0.00 O ATOM 408 CB LEU A 25 -7.890 -2.909 4.111 1.00 0.00 C ATOM 409 CG LEU A 25 -8.016 -2.032 5.367 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.351 -2.706 6.579 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.374 -0.658 5.122 1.00 0.00 C ATOM 0 H LEU A 25 -7.305 -4.086 2.056 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.177 -1.880 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.576 -2.549 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.186 -3.931 4.348 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.077 -1.902 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.454 -2.065 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.833 -3.664 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.293 -2.868 6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.470 -0.046 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.319 -0.787 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.877 -0.164 4.291 1.00 0.00 H new ATOM 423 N GLU A 26 -5.552 -4.746 4.832 1.00 0.00 N ATOM 424 CA GLU A 26 -4.693 -5.391 5.823 1.00 0.00 C ATOM 425 C GLU A 26 -3.270 -5.606 5.312 1.00 0.00 C ATOM 426 O GLU A 26 -2.317 -5.446 6.076 1.00 0.00 O ATOM 427 CB GLU A 26 -5.291 -6.738 6.238 1.00 0.00 C ATOM 428 CG GLU A 26 -6.706 -6.531 6.782 1.00 0.00 C ATOM 429 CD GLU A 26 -6.659 -5.679 8.047 1.00 0.00 C ATOM 430 OE1 GLU A 26 -5.626 -5.672 8.694 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.659 -5.047 8.348 1.00 0.00 O ATOM 0 H GLU A 26 -6.184 -5.380 4.343 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.639 -4.721 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.315 -7.414 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.664 -7.206 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.326 -6.045 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.165 -7.495 7.000 1.00 0.00 H new ATOM 438 N THR A 27 -3.102 -5.963 4.040 1.00 0.00 N ATOM 439 CA THR A 27 -1.757 -6.170 3.530 1.00 0.00 C ATOM 440 C THR A 27 -1.017 -4.843 3.578 1.00 0.00 C ATOM 441 O THR A 27 0.146 -4.776 3.975 1.00 0.00 O ATOM 442 CB THR A 27 -1.818 -6.758 2.111 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.090 -7.977 2.080 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.220 -5.790 1.097 1.00 0.00 C ATOM 0 H THR A 27 -3.854 -6.110 3.367 1.00 0.00 H new ATOM 0 HA THR A 27 -1.214 -6.889 4.144 1.00 0.00 H new ATOM 0 HB THR A 27 -2.862 -6.934 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.853 -8.193 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.274 -6.228 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.779 -4.855 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.178 -5.594 1.351 1.00 0.00 H new ATOM 452 N LYS A 28 -1.721 -3.783 3.207 1.00 0.00 N ATOM 453 CA LYS A 28 -1.149 -2.447 3.249 1.00 0.00 C ATOM 454 C LYS A 28 -0.731 -2.113 4.676 1.00 0.00 C ATOM 455 O LYS A 28 0.350 -1.573 4.900 1.00 0.00 O ATOM 456 CB LYS A 28 -2.173 -1.423 2.769 1.00 0.00 C ATOM 457 CG LYS A 28 -2.201 -1.401 1.239 1.00 0.00 C ATOM 458 CD LYS A 28 -2.815 -0.084 0.777 1.00 0.00 C ATOM 459 CE LYS A 28 -2.891 -0.042 -0.753 1.00 0.00 C ATOM 460 NZ LYS A 28 -4.166 0.611 -1.165 1.00 0.00 N ATOM 0 H LYS A 28 -2.685 -3.823 2.875 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.277 -2.416 2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.161 -1.672 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.920 -0.434 3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.192 -1.507 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.782 -2.242 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.813 0.029 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.218 0.752 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.041 0.508 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.839 -1.052 -1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.468 0.233 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.900 0.418 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.021 1.638 -1.243 1.00 0.00 H new ATOM 474 N THR A 29 -1.592 -2.440 5.645 1.00 0.00 N ATOM 475 CA THR A 29 -1.284 -2.165 7.042 1.00 0.00 C ATOM 476 C THR A 29 0.060 -2.779 7.417 1.00 0.00 C ATOM 477 O THR A 29 0.993 -2.072 7.798 1.00 0.00 O ATOM 478 CB THR A 29 -2.386 -2.737 7.940 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.618 -2.728 7.236 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.517 -1.884 9.200 1.00 0.00 C ATOM 0 H THR A 29 -2.494 -2.889 5.486 1.00 0.00 H new ATOM 0 HA THR A 29 -1.229 -1.086 7.184 1.00 0.00 H new ATOM 0 HB THR A 29 -2.130 -3.759 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.550 -2.126 6.466 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.301 -2.293 9.837 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.571 -1.888 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.772 -0.861 8.922 1.00 0.00 H new ATOM 488 N LYS A 30 0.149 -4.097 7.301 1.00 0.00 N ATOM 489 CA LYS A 30 1.383 -4.797 7.626 1.00 0.00 C ATOM 490 C LYS A 30 2.528 -4.274 6.765 1.00 0.00 C ATOM 491 O LYS A 30 3.539 -3.801 7.283 1.00 0.00 O ATOM 492 CB LYS A 30 1.203 -6.302 7.397 1.00 0.00 C ATOM 493 CG LYS A 30 2.569 -6.998 7.406 1.00 0.00 C ATOM 494 CD LYS A 30 3.299 -6.685 8.714 1.00 0.00 C ATOM 495 CE LYS A 30 4.447 -7.677 8.909 1.00 0.00 C ATOM 496 NZ LYS A 30 5.277 -7.253 10.072 1.00 0.00 N ATOM 0 H LYS A 30 -0.612 -4.699 6.987 1.00 0.00 H new ATOM 0 HA LYS A 30 1.623 -4.620 8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.565 -6.723 8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.702 -6.477 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.440 -8.075 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.164 -6.663 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.685 -5.666 8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.606 -6.746 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.052 -8.679 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.060 -7.722 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.058 -7.927 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.665 -6.305 9.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.688 -7.231 10.929 1.00 0.00 H new ATOM 510 N LEU A 31 2.366 -4.371 5.448 1.00 0.00 N ATOM 511 CA LEU A 31 3.402 -3.910 4.534 1.00 0.00 C ATOM 512 C LEU A 31 3.964 -2.568 4.991 1.00 0.00 C ATOM 513 O LEU A 31 5.128 -2.259 4.743 1.00 0.00 O ATOM 514 CB LEU A 31 2.825 -3.775 3.122 1.00 0.00 C ATOM 515 CG LEU A 31 3.931 -3.361 2.145 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.031 -4.429 2.122 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.332 -3.210 0.744 1.00 0.00 C ATOM 0 H LEU A 31 1.538 -4.760 4.996 1.00 0.00 H new ATOM 0 HA LEU A 31 4.210 -4.642 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.385 -4.721 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.026 -3.034 3.115 1.00 0.00 H new ATOM 0 HG LEU A 31 4.363 -2.413 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.814 -4.129 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.455 -4.537 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.607 -5.381 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.114 -2.915 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.901 -4.160 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.554 -2.447 0.761 1.00 0.00 H new ATOM 529 N ALA A 32 3.135 -1.777 5.665 1.00 0.00 N ATOM 530 CA ALA A 32 3.575 -0.474 6.158 1.00 0.00 C ATOM 531 C ALA A 32 4.360 -0.646 7.456 1.00 0.00 C ATOM 532 O ALA A 32 5.364 0.028 7.684 1.00 0.00 O ATOM 533 CB ALA A 32 2.365 0.447 6.394 1.00 0.00 C ATOM 0 H ALA A 32 2.166 -2.010 5.881 1.00 0.00 H new ATOM 0 HA ALA A 32 4.220 -0.017 5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.710 1.414 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.825 0.586 5.457 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.702 -0.005 7.131 1.00 0.00 H new ATOM 539 N GLN A 33 3.891 -1.557 8.299 1.00 0.00 N ATOM 540 CA GLN A 33 4.547 -1.823 9.574 1.00 0.00 C ATOM 541 C GLN A 33 5.799 -2.666 9.365 1.00 0.00 C ATOM 542 O GLN A 33 6.643 -2.777 10.254 1.00 0.00 O ATOM 543 CB GLN A 33 3.588 -2.552 10.517 1.00 0.00 C ATOM 544 CG GLN A 33 2.502 -1.584 10.991 1.00 0.00 C ATOM 545 CD GLN A 33 1.580 -2.281 11.986 1.00 0.00 C ATOM 546 OE1 GLN A 33 1.790 -2.192 13.195 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.565 -2.974 11.546 1.00 0.00 N ATOM 0 H GLN A 33 3.061 -2.123 8.124 1.00 0.00 H new ATOM 0 HA GLN A 33 4.834 -0.870 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.135 -3.401 10.006 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.134 -2.949 11.372 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.959 -0.711 11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.926 -1.225 10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.393 -3.046 10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.056 -3.443 12.205 1.00 0.00 H new ATOM 556 N SER A 34 5.910 -3.254 8.181 1.00 0.00 N ATOM 557 CA SER A 34 7.061 -4.084 7.855 1.00 0.00 C ATOM 558 C SER A 34 8.258 -3.199 7.556 1.00 0.00 C ATOM 559 O SER A 34 9.345 -3.395 8.099 1.00 0.00 O ATOM 560 CB SER A 34 6.752 -4.962 6.642 1.00 0.00 C ATOM 561 OG SER A 34 7.846 -5.837 6.404 1.00 0.00 O ATOM 0 H SER A 34 5.220 -3.172 7.434 1.00 0.00 H new ATOM 0 HA SER A 34 7.288 -4.726 8.706 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.843 -5.537 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.572 -4.340 5.765 1.00 0.00 H new ATOM 0 HG SER A 34 7.590 -6.506 5.735 1.00 0.00 H new ATOM 567 N ILE A 35 8.040 -2.208 6.698 1.00 0.00 N ATOM 568 CA ILE A 35 9.089 -1.277 6.342 1.00 0.00 C ATOM 569 C ILE A 35 8.983 -0.039 7.222 1.00 0.00 C ATOM 570 O ILE A 35 9.880 0.802 7.240 1.00 0.00 O ATOM 571 CB ILE A 35 8.967 -0.902 4.868 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.644 -0.173 4.625 1.00 0.00 C ATOM 573 CG2 ILE A 35 9.011 -2.173 4.016 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.408 -0.035 3.116 1.00 0.00 C ATOM 0 H ILE A 35 7.145 -2.034 6.240 1.00 0.00 H new ATOM 0 HA ILE A 35 10.063 -1.740 6.500 1.00 0.00 H new ATOM 0 HB ILE A 35 9.794 -0.246 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.823 -0.724 5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.667 0.812 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.924 -1.908 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.956 -2.691 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.185 -2.827 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.466 0.484 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.224 0.534 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.366 -1.025 2.662 1.00 0.00 H new ATOM 586 N SER A 36 7.878 0.048 7.968 1.00 0.00 N ATOM 587 CA SER A 36 7.658 1.174 8.878 1.00 0.00 C ATOM 588 C SER A 36 7.028 2.363 8.157 1.00 0.00 C ATOM 589 O SER A 36 7.130 3.501 8.615 1.00 0.00 O ATOM 590 CB SER A 36 8.978 1.609 9.519 1.00 0.00 C ATOM 591 OG SER A 36 9.585 2.609 8.711 1.00 0.00 O ATOM 0 H SER A 36 7.127 -0.643 7.960 1.00 0.00 H new ATOM 0 HA SER A 36 6.969 0.836 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.799 1.995 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.645 0.753 9.621 1.00 0.00 H new ATOM 0 HG SER A 36 10.101 2.183 7.995 1.00 0.00 H new ATOM 597 N CYS A 37 6.364 2.093 7.041 1.00 0.00 N ATOM 598 CA CYS A 37 5.704 3.149 6.280 1.00 0.00 C ATOM 599 C CYS A 37 4.222 3.182 6.626 1.00 0.00 C ATOM 600 O CYS A 37 3.763 2.428 7.483 1.00 0.00 O ATOM 601 CB CYS A 37 5.872 2.908 4.780 1.00 0.00 C ATOM 602 SG CYS A 37 7.560 3.338 4.283 1.00 0.00 S ATOM 0 H CYS A 37 6.267 1.159 6.643 1.00 0.00 H new ATOM 0 HA CYS A 37 6.161 4.104 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.667 1.864 4.544 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.153 3.508 4.222 1.00 0.00 H new ATOM 0 HG CYS A 37 7.656 4.627 4.141 1.00 0.00 H new ATOM 608 N GLU A 38 3.476 4.057 5.959 1.00 0.00 N ATOM 609 CA GLU A 38 2.043 4.169 6.209 1.00 0.00 C ATOM 610 C GLU A 38 1.252 3.630 5.016 1.00 0.00 C ATOM 611 O GLU A 38 1.714 3.676 3.876 1.00 0.00 O ATOM 612 CB GLU A 38 1.672 5.634 6.486 1.00 0.00 C ATOM 613 CG GLU A 38 1.259 6.327 5.187 1.00 0.00 C ATOM 614 CD GLU A 38 1.273 7.840 5.376 1.00 0.00 C ATOM 615 OE1 GLU A 38 2.227 8.337 5.952 1.00 0.00 O ATOM 616 OE2 GLU A 38 0.331 8.481 4.939 1.00 0.00 O ATOM 0 H GLU A 38 3.835 4.693 5.248 1.00 0.00 H new ATOM 0 HA GLU A 38 1.789 3.573 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.856 5.680 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.520 6.154 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.940 6.046 4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.263 5.998 4.891 1.00 0.00 H new ATOM 623 N GLU A 39 0.059 3.117 5.294 1.00 0.00 N ATOM 624 CA GLU A 39 -0.799 2.565 4.248 1.00 0.00 C ATOM 625 C GLU A 39 -1.474 3.682 3.462 1.00 0.00 C ATOM 626 O GLU A 39 -1.953 3.478 2.347 1.00 0.00 O ATOM 627 CB GLU A 39 -1.872 1.646 4.855 1.00 0.00 C ATOM 628 CG GLU A 39 -2.527 2.307 6.074 1.00 0.00 C ATOM 629 CD GLU A 39 -3.224 3.600 5.665 1.00 0.00 C ATOM 630 OE1 GLU A 39 -4.011 3.556 4.733 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.962 4.615 6.288 1.00 0.00 O ATOM 0 H GLU A 39 -0.337 3.071 6.233 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.171 1.983 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.631 1.421 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.422 0.697 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.248 1.624 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.772 2.517 6.832 1.00 0.00 H new ATOM 638 N SER A 40 -1.528 4.853 4.075 1.00 0.00 N ATOM 639 CA SER A 40 -2.173 6.011 3.460 1.00 0.00 C ATOM 640 C SER A 40 -1.321 6.632 2.352 1.00 0.00 C ATOM 641 O SER A 40 -1.779 7.533 1.650 1.00 0.00 O ATOM 642 CB SER A 40 -2.474 7.063 4.535 1.00 0.00 C ATOM 643 OG SER A 40 -3.873 7.308 4.570 1.00 0.00 O ATOM 0 H SER A 40 -1.134 5.031 4.999 1.00 0.00 H new ATOM 0 HA SER A 40 -3.099 5.665 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.129 6.714 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.936 7.986 4.318 1.00 0.00 H new ATOM 0 HG SER A 40 -4.071 7.979 5.257 1.00 0.00 H new ATOM 649 N GLN A 41 -0.091 6.154 2.186 1.00 0.00 N ATOM 650 CA GLN A 41 0.788 6.685 1.145 1.00 0.00 C ATOM 651 C GLN A 41 1.200 5.567 0.203 1.00 0.00 C ATOM 652 O GLN A 41 1.489 5.791 -0.973 1.00 0.00 O ATOM 653 CB GLN A 41 2.026 7.324 1.786 1.00 0.00 C ATOM 654 CG GLN A 41 3.118 6.272 1.945 1.00 0.00 C ATOM 655 CD GLN A 41 4.188 6.764 2.910 1.00 0.00 C ATOM 656 OE1 GLN A 41 4.934 5.964 3.473 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.308 8.041 3.135 1.00 0.00 N ATOM 0 H GLN A 41 0.317 5.409 2.751 1.00 0.00 H new ATOM 0 HA GLN A 41 0.255 7.447 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.386 8.146 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.769 7.746 2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.686 5.342 2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.566 6.053 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.688 8.702 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.022 8.380 3.780 1.00 0.00 H new ATOM 666 N ILE A 42 1.231 4.363 0.747 1.00 0.00 N ATOM 667 CA ILE A 42 1.611 3.187 0.000 1.00 0.00 C ATOM 668 C ILE A 42 0.617 2.900 -1.122 1.00 0.00 C ATOM 669 O ILE A 42 -0.576 3.176 -1.007 1.00 0.00 O ATOM 670 CB ILE A 42 1.685 2.013 0.984 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.144 1.695 1.295 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.004 0.775 0.410 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.206 0.835 2.554 1.00 0.00 C ATOM 0 H ILE A 42 0.992 4.178 1.721 1.00 0.00 H new ATOM 0 HA ILE A 42 2.580 3.343 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 42 1.166 2.299 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.602 1.170 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.708 2.617 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.071 -0.043 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.044 0.997 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.498 0.485 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.246 0.602 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.762 1.378 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.655 -0.091 2.390 1.00 0.00 H new ATOM 685 N LYS A 43 1.137 2.327 -2.200 1.00 0.00 N ATOM 686 CA LYS A 43 0.324 1.970 -3.358 1.00 0.00 C ATOM 687 C LYS A 43 0.731 0.589 -3.858 1.00 0.00 C ATOM 688 O LYS A 43 1.884 0.378 -4.236 1.00 0.00 O ATOM 689 CB LYS A 43 0.519 2.996 -4.476 1.00 0.00 C ATOM 690 CG LYS A 43 0.340 4.413 -3.915 1.00 0.00 C ATOM 691 CD LYS A 43 -0.312 5.308 -4.972 1.00 0.00 C ATOM 692 CE LYS A 43 0.603 5.409 -6.194 1.00 0.00 C ATOM 693 NZ LYS A 43 0.070 6.438 -7.131 1.00 0.00 N ATOM 0 H LYS A 43 2.126 2.098 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.726 1.960 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.513 2.890 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.200 2.818 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.278 4.384 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.307 4.824 -3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.280 4.899 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.496 6.300 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.614 5.673 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.666 4.443 -6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.692 6.507 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.887 6.167 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.032 7.359 -6.650 1.00 0.00 H new ATOM 707 N LEU A 44 -0.206 -0.354 -3.845 1.00 0.00 N ATOM 708 CA LEU A 44 0.088 -1.714 -4.292 1.00 0.00 C ATOM 709 C LEU A 44 -0.302 -1.909 -5.750 1.00 0.00 C ATOM 710 O LEU A 44 -1.479 -1.865 -6.108 1.00 0.00 O ATOM 711 CB LEU A 44 -0.649 -2.726 -3.411 1.00 0.00 C ATOM 712 CG LEU A 44 0.171 -2.977 -2.144 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.506 -1.642 -1.481 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.634 -3.834 -1.171 1.00 0.00 C ATOM 0 H LEU A 44 -1.166 -0.206 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 44 1.162 -1.876 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.638 -2.348 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.798 -3.659 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 44 1.092 -3.497 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.090 -1.821 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.084 -1.028 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.417 -1.124 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.047 -4.011 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.556 -3.316 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.875 -4.788 -1.640 1.00 0.00 H new ATOM 726 N ILE A 45 0.711 -2.105 -6.588 1.00 0.00 N ATOM 727 CA ILE A 45 0.505 -2.287 -8.015 1.00 0.00 C ATOM 728 C ILE A 45 0.531 -3.768 -8.373 1.00 0.00 C ATOM 729 O ILE A 45 1.458 -4.489 -8.007 1.00 0.00 O ATOM 730 CB ILE A 45 1.625 -1.581 -8.789 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.688 -0.065 -8.490 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.406 -1.783 -10.289 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.820 0.332 -7.299 1.00 0.00 C ATOM 0 H ILE A 45 1.688 -2.141 -6.298 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.465 -1.866 -8.279 1.00 0.00 H new ATOM 0 HB ILE A 45 2.569 -2.021 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.721 0.221 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.366 0.490 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.200 -1.283 -10.843 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.419 -2.849 -10.518 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.442 -1.362 -10.576 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.900 1.406 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.219 0.073 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.158 -0.200 -6.409 1.00 0.00 H new ATOM 745 N TYR A 46 -0.484 -4.208 -9.111 1.00 0.00 N ATOM 746 CA TYR A 46 -0.562 -5.599 -9.542 1.00 0.00 C ATOM 747 C TYR A 46 -0.433 -5.650 -11.054 1.00 0.00 C ATOM 748 O TYR A 46 -1.344 -5.253 -11.781 1.00 0.00 O ATOM 749 CB TYR A 46 -1.896 -6.207 -9.108 1.00 0.00 C ATOM 750 CG TYR A 46 -1.932 -7.678 -9.456 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.285 -8.614 -8.636 1.00 0.00 C ATOM 752 CD2 TYR A 46 -2.626 -8.108 -10.594 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.333 -9.976 -8.957 1.00 0.00 C ATOM 754 CE2 TYR A 46 -2.671 -9.470 -10.915 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.025 -10.403 -10.096 1.00 0.00 C ATOM 756 OH TYR A 46 -2.072 -11.746 -10.411 1.00 0.00 O ATOM 0 H TYR A 46 -1.260 -3.624 -9.422 1.00 0.00 H new ATOM 0 HA TYR A 46 0.244 -6.173 -9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.033 -6.075 -8.035 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.719 -5.688 -9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.750 -8.284 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.127 -7.388 -11.224 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.836 -10.697 -8.325 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.204 -9.800 -11.794 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.593 -11.872 -11.231 1.00 0.00 H new ATOM 766 N SER A 47 0.711 -6.123 -11.525 1.00 0.00 N ATOM 767 CA SER A 47 0.956 -6.199 -12.954 1.00 0.00 C ATOM 768 C SER A 47 0.689 -4.850 -13.611 1.00 0.00 C ATOM 769 O SER A 47 0.164 -4.785 -14.723 1.00 0.00 O ATOM 770 CB SER A 47 0.065 -7.269 -13.586 1.00 0.00 C ATOM 771 OG SER A 47 0.134 -8.456 -12.808 1.00 0.00 O ATOM 0 H SER A 47 1.478 -6.457 -10.942 1.00 0.00 H new ATOM 0 HA SER A 47 2.001 -6.467 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.965 -6.916 -13.641 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.388 -7.471 -14.607 1.00 0.00 H new ATOM 0 HG SER A 47 -0.667 -8.527 -12.248 1.00 0.00 H new ATOM 777 N GLY A 48 1.053 -3.772 -12.918 1.00 0.00 N ATOM 778 CA GLY A 48 0.844 -2.432 -13.455 1.00 0.00 C ATOM 779 C GLY A 48 -0.574 -1.952 -13.171 1.00 0.00 C ATOM 780 O GLY A 48 -1.141 -1.181 -13.946 1.00 0.00 O ATOM 0 H GLY A 48 1.488 -3.800 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.562 -1.742 -13.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.024 -2.434 -14.530 1.00 0.00 H new ATOM 784 N LYS A 49 -1.149 -2.420 -12.064 1.00 0.00 N ATOM 785 CA LYS A 49 -2.514 -2.033 -11.704 1.00 0.00 C ATOM 786 C LYS A 49 -2.576 -1.513 -10.273 1.00 0.00 C ATOM 787 O LYS A 49 -2.237 -2.222 -9.332 1.00 0.00 O ATOM 788 CB LYS A 49 -3.444 -3.244 -11.841 1.00 0.00 C ATOM 789 CG LYS A 49 -4.912 -2.790 -11.835 1.00 0.00 C ATOM 790 CD LYS A 49 -5.483 -2.828 -10.409 1.00 0.00 C ATOM 791 CE LYS A 49 -5.525 -4.273 -9.892 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.780 -4.483 -9.115 1.00 0.00 N ATOM 0 H LYS A 49 -0.699 -3.059 -11.408 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.832 -1.237 -12.378 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.225 -3.777 -12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.268 -3.941 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.988 -1.779 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.501 -3.436 -12.486 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.870 -2.215 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.486 -2.402 -10.400 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.480 -4.972 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.657 -4.472 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.757 -5.420 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.862 -3.749 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.598 -4.426 -9.755 1.00 0.00 H new ATOM 806 N VAL A 50 -3.036 -0.279 -10.114 1.00 0.00 N ATOM 807 CA VAL A 50 -3.150 0.309 -8.786 1.00 0.00 C ATOM 808 C VAL A 50 -4.277 -0.366 -8.004 1.00 0.00 C ATOM 809 O VAL A 50 -5.435 0.042 -8.095 1.00 0.00 O ATOM 810 CB VAL A 50 -3.432 1.808 -8.900 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.266 2.464 -7.529 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.448 2.436 -9.889 1.00 0.00 C ATOM 0 H VAL A 50 -3.333 0.328 -10.878 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.209 0.159 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.452 1.961 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.467 3.532 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.966 2.016 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.247 2.312 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.647 3.504 -9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.429 2.283 -9.535 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.566 1.968 -10.866 1.00 0.00 H new ATOM 822 N LEU A 51 -3.936 -1.405 -7.244 1.00 0.00 N ATOM 823 CA LEU A 51 -4.930 -2.130 -6.464 1.00 0.00 C ATOM 824 C LEU A 51 -5.779 -1.172 -5.638 1.00 0.00 C ATOM 825 O LEU A 51 -5.483 0.019 -5.541 1.00 0.00 O ATOM 826 CB LEU A 51 -4.242 -3.129 -5.529 1.00 0.00 C ATOM 827 CG LEU A 51 -3.744 -4.340 -6.330 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.559 -4.986 -5.601 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.877 -5.365 -6.475 1.00 0.00 C ATOM 0 H LEU A 51 -2.984 -1.760 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.577 -2.664 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.405 -2.649 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.938 -3.455 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.426 -4.011 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.206 -5.846 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.752 -4.260 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.875 -5.312 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.520 -6.223 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.199 -5.693 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.717 -4.907 -6.997 1.00 0.00 H new ATOM 841 N GLN A 52 -6.835 -1.713 -5.043 1.00 0.00 N ATOM 842 CA GLN A 52 -7.741 -0.920 -4.215 1.00 0.00 C ATOM 843 C GLN A 52 -7.733 -1.433 -2.775 1.00 0.00 C ATOM 844 O GLN A 52 -7.285 -2.547 -2.505 1.00 0.00 O ATOM 845 CB GLN A 52 -9.167 -0.978 -4.781 1.00 0.00 C ATOM 846 CG GLN A 52 -9.120 -1.370 -6.260 1.00 0.00 C ATOM 847 CD GLN A 52 -8.204 -0.418 -7.022 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.687 -0.770 -8.083 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.972 0.773 -6.544 1.00 0.00 N ATOM 0 H GLN A 52 -7.087 -2.699 -5.117 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.398 0.115 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.761 -1.701 -4.222 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.653 -0.009 -4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.760 -2.394 -6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.123 -1.341 -6.685 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.401 1.062 -5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.361 1.415 -7.049 1.00 0.00 H new ATOM 858 N ASP A 53 -8.223 -0.607 -1.860 1.00 0.00 N ATOM 859 CA ASP A 53 -8.265 -0.970 -0.447 1.00 0.00 C ATOM 860 C ASP A 53 -9.463 -1.865 -0.133 1.00 0.00 C ATOM 861 O ASP A 53 -9.528 -2.476 0.933 1.00 0.00 O ATOM 862 CB ASP A 53 -8.359 0.297 0.400 1.00 0.00 C ATOM 863 CG ASP A 53 -7.138 1.177 0.161 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.088 0.859 0.695 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.270 2.159 -0.553 1.00 0.00 O ATOM 0 H ASP A 53 -8.597 0.319 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.353 -1.520 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.267 0.845 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.427 0.034 1.456 1.00 0.00 H new ATOM 870 N SER A 54 -10.424 -1.909 -1.049 1.00 0.00 N ATOM 871 CA SER A 54 -11.637 -2.701 -0.840 1.00 0.00 C ATOM 872 C SER A 54 -11.584 -4.060 -1.542 1.00 0.00 C ATOM 873 O SER A 54 -12.611 -4.728 -1.662 1.00 0.00 O ATOM 874 CB SER A 54 -12.848 -1.922 -1.351 1.00 0.00 C ATOM 875 OG SER A 54 -12.653 -1.596 -2.720 1.00 0.00 O ATOM 0 H SER A 54 -10.391 -1.411 -1.938 1.00 0.00 H new ATOM 0 HA SER A 54 -11.718 -2.888 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.754 -2.517 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.984 -1.013 -0.765 1.00 0.00 H new ATOM 0 HG SER A 54 -13.429 -1.098 -3.051 1.00 0.00 H new ATOM 881 N LYS A 55 -10.406 -4.476 -2.009 1.00 0.00 N ATOM 882 CA LYS A 55 -10.294 -5.765 -2.691 1.00 0.00 C ATOM 883 C LYS A 55 -9.561 -6.779 -1.823 1.00 0.00 C ATOM 884 O LYS A 55 -8.697 -6.421 -1.026 1.00 0.00 O ATOM 885 CB LYS A 55 -9.540 -5.598 -4.012 1.00 0.00 C ATOM 886 CG LYS A 55 -10.359 -4.731 -4.973 1.00 0.00 C ATOM 887 CD LYS A 55 -11.654 -5.455 -5.365 1.00 0.00 C ATOM 888 CE LYS A 55 -12.103 -4.994 -6.755 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.438 -5.578 -7.066 1.00 0.00 N ATOM 0 H LYS A 55 -9.534 -3.952 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.303 -6.130 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.569 -5.138 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.352 -6.574 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.595 -3.777 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.773 -4.510 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.494 -6.533 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.434 -5.247 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.153 -3.906 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.375 -5.304 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.743 -5.265 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.375 -6.616 -7.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.129 -5.261 -6.356 1.00 0.00 H new ATOM 903 N THR A 56 -9.908 -8.051 -1.994 1.00 0.00 N ATOM 904 CA THR A 56 -9.263 -9.115 -1.236 1.00 0.00 C ATOM 905 C THR A 56 -8.277 -9.854 -2.121 1.00 0.00 C ATOM 906 O THR A 56 -8.393 -9.837 -3.346 1.00 0.00 O ATOM 907 CB THR A 56 -10.299 -10.095 -0.681 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.091 -10.608 -1.743 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.190 -9.381 0.329 1.00 0.00 C ATOM 0 H THR A 56 -10.626 -8.367 -2.645 1.00 0.00 H new ATOM 0 HA THR A 56 -8.731 -8.665 -0.397 1.00 0.00 H new ATOM 0 HB THR A 56 -9.786 -10.920 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.752 -11.236 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.927 -10.081 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.579 -8.999 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.702 -8.552 -0.160 1.00 0.00 H new ATOM 917 N VAL A 57 -7.303 -10.499 -1.498 1.00 0.00 N ATOM 918 CA VAL A 57 -6.299 -11.237 -2.259 1.00 0.00 C ATOM 919 C VAL A 57 -6.988 -12.121 -3.291 1.00 0.00 C ATOM 920 O VAL A 57 -6.519 -12.260 -4.421 1.00 0.00 O ATOM 921 CB VAL A 57 -5.425 -12.089 -1.319 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.140 -13.460 -1.948 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.095 -11.370 -1.072 1.00 0.00 C ATOM 0 H VAL A 57 -7.184 -10.529 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.651 -10.527 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.958 -12.231 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.521 -14.049 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.081 -13.981 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.615 -13.324 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.475 -11.971 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.577 -11.227 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.286 -10.400 -0.613 1.00 0.00 H new ATOM 933 N SER A 58 -8.104 -12.709 -2.890 1.00 0.00 N ATOM 934 CA SER A 58 -8.862 -13.574 -3.778 1.00 0.00 C ATOM 935 C SER A 58 -9.354 -12.782 -4.981 1.00 0.00 C ATOM 936 O SER A 58 -9.421 -13.298 -6.096 1.00 0.00 O ATOM 937 CB SER A 58 -10.052 -14.154 -3.024 1.00 0.00 C ATOM 938 OG SER A 58 -10.586 -15.249 -3.757 1.00 0.00 O ATOM 0 H SER A 58 -8.504 -12.603 -1.958 1.00 0.00 H new ATOM 0 HA SER A 58 -8.220 -14.384 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.743 -14.482 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.816 -13.389 -2.883 1.00 0.00 H new ATOM 0 HG SER A 58 -11.351 -15.625 -3.273 1.00 0.00 H new ATOM 944 N GLU A 59 -9.689 -11.520 -4.741 1.00 0.00 N ATOM 945 CA GLU A 59 -10.166 -10.649 -5.804 1.00 0.00 C ATOM 946 C GLU A 59 -8.986 -10.105 -6.596 1.00 0.00 C ATOM 947 O GLU A 59 -9.066 -9.932 -7.812 1.00 0.00 O ATOM 948 CB GLU A 59 -10.965 -9.490 -5.207 1.00 0.00 C ATOM 949 CG GLU A 59 -12.331 -9.998 -4.740 1.00 0.00 C ATOM 950 CD GLU A 59 -13.109 -8.865 -4.080 1.00 0.00 C ATOM 951 OE1 GLU A 59 -12.517 -8.147 -3.289 1.00 0.00 O ATOM 952 OE2 GLU A 59 -14.286 -8.731 -4.372 1.00 0.00 O ATOM 0 H GLU A 59 -9.639 -11.080 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.810 -11.222 -6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.422 -9.054 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.093 -8.702 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.892 -10.390 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.202 -10.820 -4.036 1.00 0.00 H new ATOM 959 N CYS A 60 -7.886 -9.845 -5.897 1.00 0.00 N ATOM 960 CA CYS A 60 -6.688 -9.327 -6.546 1.00 0.00 C ATOM 961 C CYS A 60 -6.137 -10.352 -7.532 1.00 0.00 C ATOM 962 O CYS A 60 -5.515 -9.996 -8.533 1.00 0.00 O ATOM 963 CB CYS A 60 -5.620 -9.003 -5.501 1.00 0.00 C ATOM 964 SG CYS A 60 -4.121 -8.421 -6.330 1.00 0.00 S ATOM 0 H CYS A 60 -7.799 -9.983 -4.890 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.953 -8.417 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.988 -8.241 -4.814 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.398 -9.889 -4.905 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.123 -8.827 -7.565 1.00 0.00 H new ATOM 970 N GLY A 61 -6.376 -11.629 -7.242 1.00 0.00 N ATOM 971 CA GLY A 61 -5.906 -12.705 -8.109 1.00 0.00 C ATOM 972 C GLY A 61 -4.573 -13.264 -7.621 1.00 0.00 C ATOM 973 O GLY A 61 -3.974 -14.118 -8.274 1.00 0.00 O ATOM 0 H GLY A 61 -6.889 -11.942 -6.418 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.649 -13.502 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.796 -12.333 -9.128 1.00 0.00 H new ATOM 977 N LEU A 62 -4.109 -12.778 -6.473 1.00 0.00 N ATOM 978 CA LEU A 62 -2.847 -13.239 -5.921 1.00 0.00 C ATOM 979 C LEU A 62 -2.940 -14.697 -5.504 1.00 0.00 C ATOM 980 O LEU A 62 -3.996 -15.175 -5.091 1.00 0.00 O ATOM 981 CB LEU A 62 -2.464 -12.391 -4.707 1.00 0.00 C ATOM 982 CG LEU A 62 -2.034 -11.000 -5.169 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.219 -9.998 -4.029 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.561 -11.031 -5.585 1.00 0.00 C ATOM 0 H LEU A 62 -4.586 -12.071 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.084 -13.140 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.310 -12.313 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.653 -12.870 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.647 -10.698 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.911 -9.007 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.268 -9.972 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.610 -10.300 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.255 -10.038 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.051 -11.336 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.428 -11.741 -6.401 1.00 0.00 H new ATOM 996 N LYS A 63 -1.818 -15.392 -5.612 1.00 0.00 N ATOM 997 CA LYS A 63 -1.757 -16.799 -5.243 1.00 0.00 C ATOM 998 C LYS A 63 -0.580 -17.054 -4.308 1.00 0.00 C ATOM 999 O LYS A 63 -0.023 -16.122 -3.728 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.643 -17.665 -6.501 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.423 -17.243 -7.327 1.00 0.00 C ATOM 1002 CD LYS A 63 0.854 -17.833 -6.715 1.00 0.00 C ATOM 1003 CE LYS A 63 1.895 -18.076 -7.814 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.669 -19.417 -8.424 1.00 0.00 N ATOM 0 H LYS A 63 -0.937 -15.005 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.674 -17.065 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.556 -18.715 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.548 -17.568 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.534 -17.585 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.353 -16.156 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.256 -17.152 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.625 -18.769 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.822 -17.301 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.900 -18.019 -7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.375 -19.583 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.759 -20.151 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.715 -19.455 -8.836 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.215 -18.319 -4.156 1.00 0.00 N ATOM 1019 CA ASP A 64 0.889 -18.691 -3.278 1.00 0.00 C ATOM 1020 C ASP A 64 2.237 -18.429 -3.940 1.00 0.00 C ATOM 1021 O ASP A 64 2.548 -18.990 -4.990 1.00 0.00 O ATOM 1022 CB ASP A 64 0.783 -20.171 -2.907 1.00 0.00 C ATOM 1023 CG ASP A 64 0.785 -21.026 -4.170 1.00 0.00 C ATOM 1024 OD1 ASP A 64 -0.286 -21.257 -4.707 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.857 -21.438 -4.581 1.00 0.00 O ATOM 0 H ASP A 64 -0.665 -19.104 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 64 0.823 -18.078 -2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.617 -20.454 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.131 -20.348 -2.340 1.00 0.00 H new ATOM 1030 N GLY A 65 3.040 -17.588 -3.299 1.00 0.00 N ATOM 1031 CA GLY A 65 4.372 -17.269 -3.815 1.00 0.00 C ATOM 1032 C GLY A 65 4.336 -16.192 -4.903 1.00 0.00 C ATOM 1033 O GLY A 65 5.364 -15.888 -5.508 1.00 0.00 O ATOM 0 H GLY A 65 2.798 -17.116 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.005 -16.931 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.828 -18.173 -4.218 1.00 0.00 H new ATOM 1037 N ASP A 66 3.162 -15.619 -5.157 1.00 0.00 N ATOM 1038 CA ASP A 66 3.045 -14.585 -6.185 1.00 0.00 C ATOM 1039 C ASP A 66 3.894 -13.365 -5.824 1.00 0.00 C ATOM 1040 O ASP A 66 4.653 -13.384 -4.852 1.00 0.00 O ATOM 1041 CB ASP A 66 1.574 -14.167 -6.359 1.00 0.00 C ATOM 1042 CG ASP A 66 1.204 -14.119 -7.841 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.598 -15.021 -8.562 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.530 -13.181 -8.232 1.00 0.00 O ATOM 0 H ASP A 66 2.292 -15.847 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 66 3.410 -14.998 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.925 -14.872 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.411 -13.189 -5.905 1.00 0.00 H new ATOM 1049 N GLN A 67 3.752 -12.303 -6.610 1.00 0.00 N ATOM 1050 CA GLN A 67 4.502 -11.073 -6.371 1.00 0.00 C ATOM 1051 C GLN A 67 3.597 -9.865 -6.564 1.00 0.00 C ATOM 1052 O GLN A 67 2.750 -9.853 -7.458 1.00 0.00 O ATOM 1053 CB GLN A 67 5.686 -10.985 -7.335 1.00 0.00 C ATOM 1054 CG GLN A 67 6.520 -12.263 -7.240 1.00 0.00 C ATOM 1055 CD GLN A 67 7.860 -12.065 -7.941 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.863 -12.658 -7.546 1.00 0.00 O ATOM 1057 NE2 GLN A 67 7.935 -11.262 -8.967 1.00 0.00 N ATOM 0 H GLN A 67 3.127 -12.268 -7.415 1.00 0.00 H new ATOM 0 HA GLN A 67 4.874 -11.083 -5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.328 -10.847 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.301 -10.118 -7.093 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.682 -12.524 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.981 -13.094 -7.696 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.102 -10.771 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.827 -11.125 -9.443 1.00 0.00 H new ATOM 1066 N VAL A 68 3.768 -8.853 -5.716 1.00 0.00 N ATOM 1067 CA VAL A 68 2.945 -7.652 -5.806 1.00 0.00 C ATOM 1068 C VAL A 68 3.812 -6.402 -5.872 1.00 0.00 C ATOM 1069 O VAL A 68 4.476 -6.040 -4.902 1.00 0.00 O ATOM 1070 CB VAL A 68 2.019 -7.564 -4.586 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.683 -6.935 -4.994 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.773 -8.968 -4.023 1.00 0.00 C ATOM 0 H VAL A 68 4.461 -8.841 -4.968 1.00 0.00 H new ATOM 0 HA VAL A 68 2.351 -7.714 -6.718 1.00 0.00 H new ATOM 0 HB VAL A 68 2.491 -6.945 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.029 -6.875 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.857 -5.933 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.211 -7.549 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.115 -8.902 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.306 -9.590 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.723 -9.412 -3.725 1.00 0.00 H new ATOM 1082 N VAL A 69 3.781 -5.725 -7.009 1.00 0.00 N ATOM 1083 CA VAL A 69 4.544 -4.504 -7.155 1.00 0.00 C ATOM 1084 C VAL A 69 3.919 -3.441 -6.269 1.00 0.00 C ATOM 1085 O VAL A 69 2.708 -3.434 -6.071 1.00 0.00 O ATOM 1086 CB VAL A 69 4.539 -4.048 -8.615 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.342 -2.753 -8.754 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.171 -5.133 -9.488 1.00 0.00 C ATOM 0 H VAL A 69 3.243 -5.998 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 69 5.579 -4.674 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 69 3.512 -3.872 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.336 -2.431 -9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.893 -1.978 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.369 -2.926 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.168 -4.810 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.197 -5.308 -9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.598 -6.056 -9.393 1.00 0.00 H new ATOM 1098 N PHE A 70 4.739 -2.563 -5.719 1.00 0.00 N ATOM 1099 CA PHE A 70 4.227 -1.515 -4.838 1.00 0.00 C ATOM 1100 C PHE A 70 5.177 -0.322 -4.790 1.00 0.00 C ATOM 1101 O PHE A 70 6.294 -0.386 -5.300 1.00 0.00 O ATOM 1102 CB PHE A 70 4.018 -2.079 -3.428 1.00 0.00 C ATOM 1103 CG PHE A 70 5.294 -1.972 -2.627 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.297 -2.936 -2.774 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.470 -0.907 -1.736 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.476 -2.835 -2.028 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.649 -0.805 -0.992 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.653 -1.770 -1.137 1.00 0.00 C ATOM 0 H PHE A 70 5.749 -2.549 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 70 3.273 -1.169 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.218 -1.534 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.705 -3.121 -3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.161 -3.757 -3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.695 -0.164 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.250 -3.579 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.785 0.018 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.564 -1.693 -0.562 1.00 0.00 H new ATOM 1118 N MET A 71 4.723 0.764 -4.169 1.00 0.00 N ATOM 1119 CA MET A 71 5.542 1.969 -4.054 1.00 0.00 C ATOM 1120 C MET A 71 5.035 2.852 -2.915 1.00 0.00 C ATOM 1121 O MET A 71 3.838 2.882 -2.626 1.00 0.00 O ATOM 1122 CB MET A 71 5.507 2.752 -5.377 1.00 0.00 C ATOM 1123 CG MET A 71 6.855 2.630 -6.094 1.00 0.00 C ATOM 1124 SD MET A 71 6.743 3.408 -7.725 1.00 0.00 S ATOM 1125 CE MET A 71 7.323 5.051 -7.235 1.00 0.00 C ATOM 0 H MET A 71 3.800 0.835 -3.741 1.00 0.00 H new ATOM 0 HA MET A 71 6.569 1.674 -3.837 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.711 2.369 -6.015 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.283 3.801 -5.183 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.637 3.108 -5.504 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.130 1.580 -6.198 1.00 0.00 H new ATOM 0 HE1 MET A 71 7.334 5.708 -8.105 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.655 5.462 -6.478 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.331 4.974 -6.826 1.00 0.00 H new ATOM 1135 N VAL A 72 5.953 3.574 -2.275 1.00 0.00 N ATOM 1136 CA VAL A 72 5.587 4.460 -1.171 1.00 0.00 C ATOM 1137 C VAL A 72 5.526 5.907 -1.646 1.00 0.00 C ATOM 1138 O VAL A 72 6.451 6.397 -2.293 1.00 0.00 O ATOM 1139 CB VAL A 72 6.606 4.335 -0.036 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.033 4.961 1.239 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.909 2.857 0.216 1.00 0.00 C ATOM 0 H VAL A 72 6.948 3.564 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 72 4.603 4.166 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 72 7.523 4.854 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.760 4.871 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.816 6.014 1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.115 4.443 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.635 2.767 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.991 2.340 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.318 2.410 -0.690 1.00 0.00 H new ATOM 1151 N SER A 73 4.429 6.586 -1.321 1.00 0.00 N ATOM 1152 CA SER A 73 4.257 7.980 -1.723 1.00 0.00 C ATOM 1153 C SER A 73 4.708 8.920 -0.611 1.00 0.00 C ATOM 1154 O SER A 73 4.615 8.589 0.572 1.00 0.00 O ATOM 1155 CB SER A 73 2.790 8.249 -2.057 1.00 0.00 C ATOM 1156 OG SER A 73 2.335 7.280 -2.992 1.00 0.00 O ATOM 0 H SER A 73 3.652 6.199 -0.785 1.00 0.00 H new ATOM 0 HA SER A 73 4.870 8.161 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.186 8.208 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.677 9.251 -2.471 1.00 0.00 H new ATOM 0 HG SER A 73 1.932 6.527 -2.512 1.00 0.00 H new ATOM 1162 N GLN A 74 5.198 10.094 -0.999 1.00 0.00 N ATOM 1163 CA GLN A 74 5.661 11.080 -0.027 1.00 0.00 C ATOM 1164 C GLN A 74 4.532 12.034 0.349 1.00 0.00 C ATOM 1165 O GLN A 74 3.715 12.407 -0.493 1.00 0.00 O ATOM 1166 CB GLN A 74 6.832 11.876 -0.611 1.00 0.00 C ATOM 1167 CG GLN A 74 8.103 11.026 -0.566 1.00 0.00 C ATOM 1168 CD GLN A 74 8.632 10.956 0.862 1.00 0.00 C ATOM 1169 OE1 GLN A 74 8.541 9.914 1.509 1.00 0.00 O ATOM 1170 NE2 GLN A 74 9.184 12.012 1.395 1.00 0.00 N ATOM 0 H GLN A 74 5.285 10.385 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 74 5.989 10.554 0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.612 12.165 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.978 12.796 -0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.892 10.022 -0.934 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.860 11.454 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.259 12.875 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.541 11.974 2.350 1.00 0.00 H new ATOM 1179 N LYS A 75 4.492 12.425 1.620 1.00 0.00 N ATOM 1180 CA LYS A 75 3.457 13.338 2.100 1.00 0.00 C ATOM 1181 C LYS A 75 3.933 14.785 2.010 1.00 0.00 C ATOM 1182 O LYS A 75 4.334 15.380 3.010 1.00 0.00 O ATOM 1183 CB LYS A 75 3.099 13.001 3.552 1.00 0.00 C ATOM 1184 CG LYS A 75 4.353 13.100 4.436 1.00 0.00 C ATOM 1185 CD LYS A 75 4.311 12.018 5.520 1.00 0.00 C ATOM 1186 CE LYS A 75 3.096 12.238 6.424 1.00 0.00 C ATOM 1187 NZ LYS A 75 3.323 11.562 7.733 1.00 0.00 N ATOM 0 H LYS A 75 5.159 12.127 2.332 1.00 0.00 H new ATOM 0 HA LYS A 75 2.574 13.222 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.332 13.686 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.682 11.996 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.249 12.982 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.408 14.087 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.260 11.031 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.226 12.047 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.931 13.305 6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.199 11.842 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.498 11.711 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.460 10.543 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.170 11.960 8.187 1.00 0.00 H new ATOM 1201 N LYS A 76 3.884 15.346 0.807 1.00 0.00 N ATOM 1202 CA LYS A 76 4.312 16.725 0.604 1.00 0.00 C ATOM 1203 C LYS A 76 3.458 17.676 1.439 1.00 0.00 C ATOM 1204 O LYS A 76 3.480 17.624 2.670 1.00 0.00 O ATOM 1205 CB LYS A 76 4.203 17.095 -0.879 1.00 0.00 C ATOM 1206 CG LYS A 76 5.321 16.403 -1.670 1.00 0.00 C ATOM 1207 CD LYS A 76 6.588 17.271 -1.657 1.00 0.00 C ATOM 1208 CE LYS A 76 6.529 18.295 -2.794 1.00 0.00 C ATOM 1209 NZ LYS A 76 6.910 17.636 -4.075 1.00 0.00 N ATOM 0 H LYS A 76 3.556 14.873 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 76 5.351 16.817 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.230 16.794 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.275 18.176 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.535 15.427 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.998 16.231 -2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.679 17.783 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.471 16.642 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.525 18.711 -2.871 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.203 19.126 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.035 18.358 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.801 17.115 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.160 16.975 -4.362 1.00 0.00 H new ATOM 1223 N SER A 77 2.705 18.541 0.767 1.00 0.00 N ATOM 1224 CA SER A 77 1.848 19.495 1.462 1.00 0.00 C ATOM 1225 C SER A 77 0.937 20.216 0.473 1.00 0.00 C ATOM 1226 O SER A 77 -0.223 20.496 0.774 1.00 0.00 O ATOM 1227 CB SER A 77 2.702 20.518 2.210 1.00 0.00 C ATOM 1228 OG SER A 77 3.334 19.884 3.315 1.00 0.00 O ATOM 0 H SER A 77 2.670 18.601 -0.251 1.00 0.00 H new ATOM 0 HA SER A 77 1.232 18.947 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.452 20.942 1.541 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.081 21.344 2.556 1.00 0.00 H new ATOM 0 HG SER A 77 3.115 18.929 3.313 1.00 0.00 H new ATOM 1234 N THR A 78 1.471 20.515 -0.707 1.00 0.00 N ATOM 1235 CA THR A 78 0.696 21.203 -1.733 1.00 0.00 C ATOM 1236 C THR A 78 1.367 21.061 -3.095 1.00 0.00 C ATOM 1237 O THR A 78 1.838 19.975 -3.391 1.00 0.00 O ATOM 1238 CB THR A 78 0.560 22.688 -1.374 1.00 0.00 C ATOM 1239 OG1 THR A 78 0.034 22.806 -0.060 1.00 0.00 O ATOM 1240 CG2 THR A 78 -0.378 23.389 -2.365 1.00 0.00 C ATOM 0 H THR A 78 2.430 20.294 -0.975 1.00 0.00 H new ATOM 0 HA THR A 78 -0.294 20.751 -1.783 1.00 0.00 H new ATOM 0 HB THR A 78 1.542 23.159 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.507 22.016 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.466 24.442 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.027 23.302 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.362 22.922 -2.327 1.00 0.00 H new TER 1248 THR A 78