USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O3 : rot -1:sc= 0.0611 USER MOD Set 1.2: A 185 GAL O2 : rot 90:sc= 0.149 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.025) USER MOD Single : A 11 THR OG1 : rot -107:sc= -0.201! USER MOD Single : A 13 GLN : amide:sc= -4.42! C(o=-4.4!,f=-6.6!) USER MOD Single : A 15 ASN : amide:sc= -15.9! C(o=-16!,f=-20!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.232 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 29 MET CE :methyl -164:sc= -0.204 (180deg=-0.632) USER MOD Single : A 34 SER OG : rot 180:sc= -0.494 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.235 USER MOD Single : A 44 LYS NZ :NH3+ -151:sc= -0.175 (180deg=-0.803) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 47 MET CE :methyl -151:sc= -0.68 (180deg=-2.88!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.16! K(o=-2.2!,f=-0.091) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0484 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.837! USER MOD Single : A 58 THR OG1 : rot 57:sc= -0.451! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.779 K(o=-0.78,f=-2.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -149:sc= -1.36 (180deg=-4.22!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -16.8! C(o=-17!,f=-20!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.99! USER MOD Single : A 83 HIS : no HD1:sc= -3.82! K(o=-3.8!,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00487 USER MOD Single : A 86 THR OG1 : rot -7:sc= 1.72 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-2.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc=-0.00316 USER MOD Single : A 179 NAG O3 : rot -97:sc= 0.593 USER MOD Single : A 179 NAG O6 : rot -26:sc= 0.0558 USER MOD Single : A 180 BMA O2 : rot 155:sc= 0.0857 USER MOD Single : A 180 BMA O4 : rot -110:sc= -2.01 USER MOD Single : A 181 MAN O3 : rot -1:sc= 0.344 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 39:sc= 0.00421 USER MOD Single : A 182 MAN O3 : rot 33:sc= 0.0783 USER MOD Single : A 182 MAN O4 : rot -154:sc= 0.966 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.84 USER MOD Single : A 183 NAG O3 : rot 180:sc= 0 USER MOD Single : A 183 NAG O6 : rot -30:sc= 0.165 USER MOD Single : A 184 NAG O6 : rot -26:sc= 0.0463 USER MOD Single : A 185 GAL O3 : rot 98:sc= 0.0619 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0866 USER MOD Single : A 185 GAL O6 : rot -28:sc= 0.0145 USER MOD Single : A 186 GAL O2 : rot 35:sc= 0.00341 USER MOD Single : A 186 GAL O3 : rot 96:sc= 0.0926 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0985 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.909 1.656 -19.472 1.00 0.00 N ATOM 2 CA ALA A 1 -9.796 1.454 -18.297 1.00 0.00 C ATOM 3 C ALA A 1 -10.140 -0.020 -18.118 1.00 0.00 C ATOM 4 O ALA A 1 -11.099 -0.520 -18.704 1.00 0.00 O ATOM 5 CB ALA A 1 -11.066 2.276 -18.448 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.690 2.668 -19.572 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.027 1.122 -19.337 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.389 1.320 -20.331 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.262 1.788 -17.408 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.707 2.119 -17.580 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.809 3.333 -18.522 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.594 1.967 -19.350 1.00 0.00 H new ATOM 13 N PRO A 2 -9.358 -0.733 -17.295 1.00 0.00 N ATOM 14 CA PRO A 2 -9.580 -2.158 -17.030 1.00 0.00 C ATOM 15 C PRO A 2 -10.931 -2.408 -16.369 1.00 0.00 C ATOM 16 O PRO A 2 -11.215 -1.882 -15.293 1.00 0.00 O ATOM 17 CB PRO A 2 -8.434 -2.535 -16.082 1.00 0.00 C ATOM 18 CG PRO A 2 -7.971 -1.243 -15.498 1.00 0.00 C ATOM 19 CD PRO A 2 -8.201 -0.204 -16.558 1.00 0.00 C ATOM 0 HA PRO A 2 -9.593 -2.749 -17.946 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.774 -3.219 -15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.628 -3.037 -16.618 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.525 -1.004 -14.590 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.917 -1.294 -15.224 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.411 0.774 -16.125 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.331 -0.087 -17.204 1.00 0.00 H new ATOM 27 N ASP A 3 -11.767 -3.208 -17.026 1.00 0.00 N ATOM 28 CA ASP A 3 -13.095 -3.517 -16.503 1.00 0.00 C ATOM 29 C ASP A 3 -13.059 -4.728 -15.576 1.00 0.00 C ATOM 30 O ASP A 3 -13.889 -5.631 -15.690 1.00 0.00 O ATOM 31 CB ASP A 3 -14.085 -3.770 -17.645 1.00 0.00 C ATOM 32 CG ASP A 3 -13.418 -3.809 -19.005 1.00 0.00 C ATOM 33 OD1 ASP A 3 -13.222 -2.729 -19.602 1.00 0.00 O ATOM 34 OD2 ASP A 3 -13.091 -4.919 -19.473 1.00 0.00 O ATOM 0 H ASP A 3 -11.550 -3.652 -17.918 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.427 -2.652 -15.929 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.599 -4.715 -17.471 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.845 -2.988 -17.641 1.00 0.00 H new ATOM 39 N VAL A 4 -12.103 -4.741 -14.653 1.00 0.00 N ATOM 40 CA VAL A 4 -11.979 -5.844 -13.707 1.00 0.00 C ATOM 41 C VAL A 4 -12.432 -5.421 -12.318 1.00 0.00 C ATOM 42 O VAL A 4 -12.423 -6.217 -11.380 1.00 0.00 O ATOM 43 CB VAL A 4 -10.535 -6.378 -13.636 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.865 -6.288 -14.997 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.730 -5.620 -12.589 1.00 0.00 C ATOM 0 H VAL A 4 -11.406 -4.005 -14.540 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.624 -6.645 -14.069 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.573 -7.427 -13.341 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.846 -6.669 -14.927 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.426 -6.882 -15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.841 -5.248 -15.323 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.714 -6.014 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.701 -4.562 -12.848 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.198 -5.741 -11.612 1.00 0.00 H new ATOM 55 N GLN A 5 -12.835 -4.164 -12.209 1.00 0.00 N ATOM 56 CA GLN A 5 -13.306 -3.603 -10.947 1.00 0.00 C ATOM 57 C GLN A 5 -12.643 -4.292 -9.756 1.00 0.00 C ATOM 58 O GLN A 5 -11.542 -4.830 -9.872 1.00 0.00 O ATOM 59 CB GLN A 5 -14.830 -3.729 -10.857 1.00 0.00 C ATOM 60 CG GLN A 5 -15.550 -2.389 -10.852 1.00 0.00 C ATOM 61 CD GLN A 5 -17.048 -2.516 -11.068 1.00 0.00 C ATOM 62 OE1 GLN A 5 -17.772 -1.519 -11.051 1.00 0.00 O ATOM 63 NE2 GLN A 5 -17.525 -3.740 -11.272 1.00 0.00 N ATOM 0 H GLN A 5 -12.846 -3.505 -12.987 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.033 -2.548 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -15.188 -4.322 -11.699 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.089 -4.275 -9.950 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.367 -1.889 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -15.129 -1.754 -11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.892 -4.540 -11.279 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -18.524 -3.880 -11.422 1.00 0.00 H new ATOM 72 N ASP A 6 -13.317 -4.270 -8.611 1.00 0.00 N ATOM 73 CA ASP A 6 -12.789 -4.895 -7.403 1.00 0.00 C ATOM 74 C ASP A 6 -11.295 -4.627 -7.255 1.00 0.00 C ATOM 75 O ASP A 6 -10.484 -5.551 -7.308 1.00 0.00 O ATOM 76 CB ASP A 6 -13.042 -6.404 -7.432 1.00 0.00 C ATOM 77 CG ASP A 6 -14.397 -6.776 -6.865 1.00 0.00 C ATOM 78 OD1 ASP A 6 -15.274 -5.891 -6.794 1.00 0.00 O ATOM 79 OD2 ASP A 6 -14.579 -7.953 -6.490 1.00 0.00 O ATOM 0 H ASP A 6 -14.228 -3.827 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 6 -13.305 -4.459 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.971 -6.761 -8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.262 -6.911 -6.864 1.00 0.00 H new ATOM 84 N CYS A 7 -10.936 -3.362 -7.069 1.00 0.00 N ATOM 85 CA CYS A 7 -9.536 -2.986 -6.912 1.00 0.00 C ATOM 86 C CYS A 7 -8.822 -3.946 -5.966 1.00 0.00 C ATOM 87 O CYS A 7 -9.356 -4.314 -4.919 1.00 0.00 O ATOM 88 CB CYS A 7 -9.427 -1.554 -6.388 1.00 0.00 C ATOM 89 SG CYS A 7 -8.097 -0.579 -7.165 1.00 0.00 S ATOM 0 H CYS A 7 -11.592 -2.582 -7.023 1.00 0.00 H new ATOM 0 HA CYS A 7 -9.056 -3.042 -7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -10.378 -1.046 -6.549 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.260 -1.584 -5.311 1.00 0.00 H new ATOM 94 N PRO A 8 -7.600 -4.363 -6.326 1.00 0.00 N ATOM 95 CA PRO A 8 -6.805 -5.286 -5.509 1.00 0.00 C ATOM 96 C PRO A 8 -6.421 -4.681 -4.166 1.00 0.00 C ATOM 97 O PRO A 8 -7.032 -3.714 -3.709 1.00 0.00 O ATOM 98 CB PRO A 8 -5.555 -5.535 -6.359 1.00 0.00 C ATOM 99 CG PRO A 8 -5.475 -4.363 -7.275 1.00 0.00 C ATOM 100 CD PRO A 8 -6.896 -3.968 -7.557 1.00 0.00 C ATOM 0 HA PRO A 8 -7.358 -6.194 -5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.663 -5.612 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.636 -6.468 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.925 -3.543 -6.814 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.951 -4.621 -8.195 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.987 -2.899 -7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.292 -4.484 -8.432 1.00 0.00 H new ATOM 108 N GLU A 9 -5.401 -5.254 -3.538 1.00 0.00 N ATOM 109 CA GLU A 9 -4.928 -4.772 -2.251 1.00 0.00 C ATOM 110 C GLU A 9 -3.785 -3.784 -2.438 1.00 0.00 C ATOM 111 O GLU A 9 -3.120 -3.775 -3.474 1.00 0.00 O ATOM 112 CB GLU A 9 -4.470 -5.944 -1.381 1.00 0.00 C ATOM 113 CG GLU A 9 -3.630 -5.525 -0.186 1.00 0.00 C ATOM 114 CD GLU A 9 -3.274 -6.690 0.715 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.682 -7.829 0.404 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.587 -6.464 1.733 1.00 0.00 O ATOM 0 H GLU A 9 -4.886 -6.055 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.752 -4.262 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.347 -6.486 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.894 -6.637 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.714 -5.051 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.174 -4.777 0.391 1.00 0.00 H new ATOM 123 N CYS A 10 -3.567 -2.952 -1.433 1.00 0.00 N ATOM 124 CA CYS A 10 -2.508 -1.952 -1.482 1.00 0.00 C ATOM 125 C CYS A 10 -1.283 -2.414 -0.702 1.00 0.00 C ATOM 126 O CYS A 10 -1.404 -3.115 0.304 1.00 0.00 O ATOM 127 CB CYS A 10 -3.012 -0.623 -0.920 1.00 0.00 C ATOM 128 SG CYS A 10 -1.924 0.795 -1.275 1.00 0.00 S ATOM 0 H CYS A 10 -4.110 -2.948 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.220 -1.815 -2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.001 -0.420 -1.329 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.127 -0.718 0.160 1.00 0.00 H new ATOM 133 N THR A 11 -0.104 -2.016 -1.166 1.00 0.00 N ATOM 134 CA THR A 11 1.140 -2.387 -0.506 1.00 0.00 C ATOM 135 C THR A 11 2.324 -1.778 -1.229 1.00 0.00 C ATOM 136 O THR A 11 2.159 -0.911 -2.083 1.00 0.00 O ATOM 137 CB THR A 11 1.294 -3.905 -0.457 1.00 0.00 C ATOM 138 OG1 THR A 11 2.568 -4.264 0.051 1.00 0.00 O ATOM 139 CG2 THR A 11 1.138 -4.562 -1.811 1.00 0.00 C ATOM 0 H THR A 11 0.016 -1.436 -1.997 1.00 0.00 H new ATOM 0 HA THR A 11 1.108 -2.004 0.514 1.00 0.00 H new ATOM 0 HB THR A 11 0.496 -4.258 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.128 -4.603 -0.679 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.258 -5.640 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.147 -4.344 -2.209 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.896 -4.176 -2.492 1.00 0.00 H new ATOM 147 N LEU A 12 3.516 -2.238 -0.885 1.00 0.00 N ATOM 148 CA LEU A 12 4.731 -1.735 -1.505 1.00 0.00 C ATOM 149 C LEU A 12 5.192 -2.637 -2.625 1.00 0.00 C ATOM 150 O LEU A 12 5.160 -3.863 -2.507 1.00 0.00 O ATOM 151 CB LEU A 12 5.844 -1.607 -0.476 1.00 0.00 C ATOM 152 CG LEU A 12 5.700 -0.434 0.481 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.274 -0.343 0.993 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.686 -0.584 1.625 1.00 0.00 C ATOM 0 H LEU A 12 3.668 -2.959 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 12 4.501 -0.753 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.889 -2.528 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.795 -1.514 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 12 5.923 0.493 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.186 0.501 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.594 -0.202 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.016 -1.263 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.580 0.258 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.485 -1.513 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.702 -0.605 1.230 1.00 0.00 H new ATOM 166 N GLN A 13 5.641 -2.026 -3.706 1.00 0.00 N ATOM 167 CA GLN A 13 6.127 -2.787 -4.834 1.00 0.00 C ATOM 168 C GLN A 13 7.615 -2.619 -4.989 1.00 0.00 C ATOM 169 O GLN A 13 8.114 -2.225 -6.042 1.00 0.00 O ATOM 170 CB GLN A 13 5.423 -2.390 -6.104 1.00 0.00 C ATOM 171 CG GLN A 13 4.161 -3.197 -6.356 1.00 0.00 C ATOM 172 CD GLN A 13 3.623 -3.049 -7.765 1.00 0.00 C ATOM 173 OE1 GLN A 13 4.212 -2.362 -8.602 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.496 -3.698 -8.031 1.00 0.00 N ATOM 0 H GLN A 13 5.678 -1.013 -3.823 1.00 0.00 H new ATOM 0 HA GLN A 13 5.912 -3.838 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.168 -1.331 -6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.104 -2.517 -6.946 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.367 -4.250 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.393 -2.887 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.045 -4.255 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.082 -3.640 -8.961 1.00 0.00 H new ATOM 183 N GLU A 14 8.295 -2.920 -3.906 1.00 0.00 N ATOM 184 CA GLU A 14 9.748 -2.824 -3.819 1.00 0.00 C ATOM 185 C GLU A 14 10.345 -2.345 -5.120 1.00 0.00 C ATOM 186 O GLU A 14 10.150 -2.936 -6.180 1.00 0.00 O ATOM 187 CB GLU A 14 10.378 -4.152 -3.433 1.00 0.00 C ATOM 188 CG GLU A 14 11.899 -4.117 -3.427 1.00 0.00 C ATOM 189 CD GLU A 14 12.512 -5.492 -3.613 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.355 -6.338 -2.709 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.151 -5.721 -4.662 1.00 0.00 O ATOM 0 H GLU A 14 7.855 -3.244 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 14 9.966 -2.096 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.024 -4.440 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.042 -4.921 -4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.247 -3.457 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.246 -3.692 -2.485 1.00 0.00 H new ATOM 198 N ASN A 15 11.062 -1.260 -5.010 1.00 0.00 N ATOM 199 CA ASN A 15 11.700 -0.632 -6.143 1.00 0.00 C ATOM 200 C ASN A 15 12.752 -1.517 -6.788 1.00 0.00 C ATOM 201 O ASN A 15 13.877 -1.617 -6.300 1.00 0.00 O ATOM 202 CB ASN A 15 12.320 0.688 -5.733 1.00 0.00 C ATOM 203 CG ASN A 15 11.907 1.806 -6.659 1.00 0.00 C ATOM 204 OD1 ASN A 15 12.551 2.059 -7.676 1.00 0.00 O ATOM 205 ND2 ASN A 15 10.825 2.479 -6.311 1.00 0.00 N ATOM 0 H ASN A 15 11.223 -0.780 -4.125 1.00 0.00 H new ATOM 0 HA ASN A 15 10.922 -0.459 -6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.021 0.930 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.406 0.596 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.491 3.245 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.323 2.232 -5.458 1.00 0.00 H new ATOM 212 N PRO A 16 12.416 -2.136 -7.930 1.00 0.00 N ATOM 213 CA PRO A 16 13.349 -2.967 -8.676 1.00 0.00 C ATOM 214 C PRO A 16 14.318 -2.080 -9.436 1.00 0.00 C ATOM 215 O PRO A 16 15.147 -2.543 -10.220 1.00 0.00 O ATOM 216 CB PRO A 16 12.456 -3.758 -9.646 1.00 0.00 C ATOM 217 CG PRO A 16 11.046 -3.356 -9.332 1.00 0.00 C ATOM 218 CD PRO A 16 11.127 -2.037 -8.616 1.00 0.00 C ATOM 0 HA PRO A 16 13.946 -3.623 -8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.706 -3.528 -10.682 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.594 -4.831 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.456 -3.267 -10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.558 -4.106 -8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.098 -1.196 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.302 -1.903 -7.916 1.00 0.00 H new ATOM 226 N PHE A 17 14.178 -0.788 -9.177 1.00 0.00 N ATOM 227 CA PHE A 17 14.991 0.242 -9.794 1.00 0.00 C ATOM 228 C PHE A 17 16.143 0.630 -8.881 1.00 0.00 C ATOM 229 O PHE A 17 17.314 0.467 -9.222 1.00 0.00 O ATOM 230 CB PHE A 17 14.120 1.469 -10.059 1.00 0.00 C ATOM 231 CG PHE A 17 14.693 2.397 -11.083 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.930 2.143 -11.647 1.00 0.00 C ATOM 233 CD2 PHE A 17 13.993 3.522 -11.480 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.461 2.995 -12.596 1.00 0.00 C ATOM 235 CE2 PHE A 17 14.517 4.380 -12.428 1.00 0.00 C ATOM 236 CZ PHE A 17 15.754 4.115 -12.988 1.00 0.00 C ATOM 0 H PHE A 17 13.486 -0.424 -8.523 1.00 0.00 H new ATOM 0 HA PHE A 17 15.400 -0.140 -10.729 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.134 1.141 -10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.979 2.013 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 17 16.487 1.269 -11.342 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.027 3.732 -11.045 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.427 2.786 -13.031 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.962 5.256 -12.731 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.166 4.783 -13.730 1.00 0.00 H new ATOM 246 N PHE A 18 15.788 1.152 -7.714 1.00 0.00 N ATOM 247 CA PHE A 18 16.767 1.582 -6.729 1.00 0.00 C ATOM 248 C PHE A 18 17.345 0.387 -5.981 1.00 0.00 C ATOM 249 O PHE A 18 18.262 0.534 -5.172 1.00 0.00 O ATOM 250 CB PHE A 18 16.118 2.561 -5.752 1.00 0.00 C ATOM 251 CG PHE A 18 15.161 3.504 -6.424 1.00 0.00 C ATOM 252 CD1 PHE A 18 15.596 4.338 -7.435 1.00 0.00 C ATOM 253 CD2 PHE A 18 13.830 3.553 -6.049 1.00 0.00 C ATOM 254 CE1 PHE A 18 14.722 5.206 -8.065 1.00 0.00 C ATOM 255 CE2 PHE A 18 12.951 4.417 -6.674 1.00 0.00 C ATOM 256 CZ PHE A 18 13.399 5.244 -7.682 1.00 0.00 C ATOM 0 H PHE A 18 14.819 1.288 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 18 17.586 2.083 -7.245 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.588 2.001 -4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.896 3.136 -5.250 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.632 4.312 -7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.474 2.909 -5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.076 5.852 -8.855 1.00 0.00 H new ATOM 0 HE2 PHE A 18 11.914 4.444 -6.373 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.714 5.921 -8.171 1.00 0.00 H new ATOM 266 N SER A 19 16.811 -0.796 -6.262 1.00 0.00 N ATOM 267 CA SER A 19 17.287 -2.012 -5.620 1.00 0.00 C ATOM 268 C SER A 19 18.799 -2.125 -5.767 1.00 0.00 C ATOM 269 O SER A 19 19.299 -2.670 -6.749 1.00 0.00 O ATOM 270 CB SER A 19 16.606 -3.240 -6.226 1.00 0.00 C ATOM 271 OG SER A 19 16.233 -4.165 -5.220 1.00 0.00 O ATOM 0 H SER A 19 16.051 -0.937 -6.928 1.00 0.00 H new ATOM 0 HA SER A 19 17.037 -1.965 -4.560 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.723 -2.931 -6.786 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.280 -3.721 -6.935 1.00 0.00 H new ATOM 0 HG SER A 19 15.798 -4.940 -5.633 1.00 0.00 H new ATOM 277 N GLN A 20 19.520 -1.600 -4.786 1.00 0.00 N ATOM 278 CA GLN A 20 20.973 -1.636 -4.808 1.00 0.00 C ATOM 279 C GLN A 20 21.484 -2.833 -4.024 1.00 0.00 C ATOM 280 O GLN A 20 20.753 -3.418 -3.227 1.00 0.00 O ATOM 281 CB GLN A 20 21.541 -0.343 -4.220 1.00 0.00 C ATOM 282 CG GLN A 20 21.229 0.890 -5.051 1.00 0.00 C ATOM 283 CD GLN A 20 22.452 1.752 -5.294 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.030 1.741 -6.381 1.00 0.00 O ATOM 285 NE2 GLN A 20 22.852 2.508 -4.278 1.00 0.00 N ATOM 0 H GLN A 20 19.121 -1.144 -3.965 1.00 0.00 H new ATOM 0 HA GLN A 20 21.303 -1.729 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.142 -0.204 -3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.622 -0.442 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.810 0.582 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.466 1.482 -4.545 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.343 2.486 -3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.668 3.111 -4.381 1.00 0.00 H new ATOM 294 N PRO A 21 22.752 -3.211 -4.241 1.00 0.00 N ATOM 295 CA PRO A 21 23.371 -4.345 -3.549 1.00 0.00 C ATOM 296 C PRO A 21 23.271 -4.207 -2.035 1.00 0.00 C ATOM 297 O PRO A 21 24.284 -4.100 -1.342 1.00 0.00 O ATOM 298 CB PRO A 21 24.839 -4.295 -4.000 1.00 0.00 C ATOM 299 CG PRO A 21 25.021 -2.946 -4.614 1.00 0.00 C ATOM 300 CD PRO A 21 23.683 -2.566 -5.174 1.00 0.00 C ATOM 0 HA PRO A 21 22.880 -5.288 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.514 -4.437 -3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 21 25.056 -5.086 -4.718 1.00 0.00 H new ATOM 0 HG2 PRO A 21 25.354 -2.221 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 21 25.779 -2.972 -5.397 1.00 0.00 H new ATOM 0 HD2 PRO A 21 23.547 -1.485 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 21 23.552 -2.929 -6.193 1.00 0.00 H new ATOM 308 N GLY A 22 22.042 -4.209 -1.528 1.00 0.00 N ATOM 309 CA GLY A 22 21.828 -4.082 -0.101 1.00 0.00 C ATOM 310 C GLY A 22 20.597 -3.265 0.247 1.00 0.00 C ATOM 311 O GLY A 22 20.313 -3.051 1.426 1.00 0.00 O ATOM 0 H GLY A 22 21.190 -4.297 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.732 -5.076 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.704 -3.618 0.352 1.00 0.00 H new ATOM 315 N ALA A 23 19.864 -2.792 -0.763 1.00 0.00 N ATOM 316 CA ALA A 23 18.674 -1.992 -0.501 1.00 0.00 C ATOM 317 C ALA A 23 17.667 -2.046 -1.636 1.00 0.00 C ATOM 318 O ALA A 23 17.869 -1.491 -2.716 1.00 0.00 O ATOM 319 CB ALA A 23 19.072 -0.559 -0.202 1.00 0.00 C ATOM 0 H ALA A 23 20.070 -2.947 -1.750 1.00 0.00 H new ATOM 0 HA ALA A 23 18.179 -2.422 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.178 0.034 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.720 -0.537 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.604 -0.143 -1.058 1.00 0.00 H new ATOM 325 N PRO A 24 16.560 -2.738 -1.367 1.00 0.00 N ATOM 326 CA PRO A 24 15.460 -2.933 -2.291 1.00 0.00 C ATOM 327 C PRO A 24 14.299 -1.973 -2.044 1.00 0.00 C ATOM 328 O PRO A 24 13.289 -2.334 -1.442 1.00 0.00 O ATOM 329 CB PRO A 24 15.059 -4.362 -1.956 1.00 0.00 C ATOM 330 CG PRO A 24 15.346 -4.517 -0.491 1.00 0.00 C ATOM 331 CD PRO A 24 16.299 -3.420 -0.103 1.00 0.00 C ATOM 0 HA PRO A 24 15.731 -2.754 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.005 -4.536 -2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.628 -5.080 -2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.426 -4.450 0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.782 -5.495 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.859 -2.747 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.214 -3.819 0.335 1.00 0.00 H new ATOM 339 N ILE A 25 14.475 -0.749 -2.510 1.00 0.00 N ATOM 340 CA ILE A 25 13.494 0.308 -2.366 1.00 0.00 C ATOM 341 C ILE A 25 12.066 -0.124 -2.650 1.00 0.00 C ATOM 342 O ILE A 25 11.790 -1.307 -2.836 1.00 0.00 O ATOM 343 CB ILE A 25 13.897 1.476 -3.265 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.162 2.075 -2.697 1.00 0.00 C ATOM 345 CG2 ILE A 25 12.805 2.519 -3.306 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.137 2.066 -1.188 1.00 0.00 C ATOM 0 H ILE A 25 15.317 -0.459 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 25 13.494 0.607 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 25 14.059 1.125 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.026 1.513 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.277 3.098 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.112 3.342 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.890 2.073 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.624 2.896 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.060 2.503 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.286 2.649 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.047 1.040 -0.832 1.00 0.00 H new ATOM 358 N LEU A 26 11.148 0.848 -2.601 1.00 0.00 N ATOM 359 CA LEU A 26 9.733 0.589 -2.770 1.00 0.00 C ATOM 360 C LEU A 26 8.969 1.758 -3.331 1.00 0.00 C ATOM 361 O LEU A 26 9.529 2.723 -3.847 1.00 0.00 O ATOM 362 CB LEU A 26 9.179 0.292 -1.407 1.00 0.00 C ATOM 363 CG LEU A 26 10.272 0.129 -0.383 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.777 0.459 1.004 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.856 -1.271 -0.429 1.00 0.00 C ATOM 0 H LEU A 26 11.375 1.830 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 26 9.624 -0.233 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.512 1.098 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.581 -0.618 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 26 11.065 0.835 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.589 0.332 1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.429 1.492 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.955 -0.208 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.643 -1.362 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.072 -1.999 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.273 -1.459 -1.418 1.00 0.00 H new ATOM 377 N GLN A 27 7.665 1.636 -3.187 1.00 0.00 N ATOM 378 CA GLN A 27 6.729 2.663 -3.636 1.00 0.00 C ATOM 379 C GLN A 27 5.303 2.125 -3.675 1.00 0.00 C ATOM 380 O GLN A 27 4.787 1.780 -4.738 1.00 0.00 O ATOM 381 CB GLN A 27 7.128 3.197 -5.011 1.00 0.00 C ATOM 382 CG GLN A 27 6.718 4.642 -5.241 1.00 0.00 C ATOM 383 CD GLN A 27 5.630 4.780 -6.286 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.508 4.311 -6.096 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.957 5.429 -7.398 1.00 0.00 N ATOM 0 H GLN A 27 7.219 0.826 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 27 6.768 3.483 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.209 3.111 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.675 2.572 -5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.370 5.071 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.590 5.218 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.900 5.801 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.265 5.555 -8.137 1.00 0.00 H new ATOM 394 N CYS A 28 4.683 2.059 -2.500 1.00 0.00 N ATOM 395 CA CYS A 28 3.315 1.565 -2.356 1.00 0.00 C ATOM 396 C CYS A 28 2.618 1.464 -3.709 1.00 0.00 C ATOM 397 O CYS A 28 2.370 2.476 -4.363 1.00 0.00 O ATOM 398 CB CYS A 28 2.500 2.471 -1.427 1.00 0.00 C ATOM 399 SG CYS A 28 1.499 1.566 -0.198 1.00 0.00 S ATOM 0 H CYS A 28 5.114 2.346 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 28 3.376 0.569 -1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.180 3.143 -0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.840 3.093 -2.031 1.00 0.00 H new ATOM 404 N MET A 29 2.303 0.242 -4.125 1.00 0.00 N ATOM 405 CA MET A 29 1.637 0.031 -5.405 1.00 0.00 C ATOM 406 C MET A 29 0.374 -0.806 -5.239 1.00 0.00 C ATOM 407 O MET A 29 0.418 -1.920 -4.715 1.00 0.00 O ATOM 408 CB MET A 29 2.585 -0.647 -6.391 1.00 0.00 C ATOM 409 CG MET A 29 3.183 0.304 -7.415 1.00 0.00 C ATOM 410 SD MET A 29 1.930 1.209 -8.342 1.00 0.00 S ATOM 411 CE MET A 29 0.903 -0.138 -8.922 1.00 0.00 C ATOM 0 H MET A 29 2.496 -0.611 -3.600 1.00 0.00 H new ATOM 0 HA MET A 29 1.351 1.007 -5.797 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.393 -1.124 -5.836 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.047 -1.438 -6.913 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.836 1.014 -6.907 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.805 -0.261 -8.109 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.262 0.215 -9.730 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.536 -0.947 -9.288 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.285 -0.504 -8.102 1.00 0.00 H new ATOM 421 N GLY A 30 -0.750 -0.261 -5.691 1.00 0.00 N ATOM 422 CA GLY A 30 -2.011 -0.966 -5.588 1.00 0.00 C ATOM 423 C GLY A 30 -3.141 -0.064 -5.134 1.00 0.00 C ATOM 424 O GLY A 30 -3.180 1.117 -5.477 1.00 0.00 O ATOM 0 H GLY A 30 -0.809 0.659 -6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.262 -1.399 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.906 -1.793 -4.886 1.00 0.00 H new ATOM 428 N CYS A 31 -4.063 -0.624 -4.361 1.00 0.00 N ATOM 429 CA CYS A 31 -5.201 0.134 -3.858 1.00 0.00 C ATOM 430 C CYS A 31 -5.864 -0.593 -2.694 1.00 0.00 C ATOM 431 O CYS A 31 -5.546 -1.747 -2.408 1.00 0.00 O ATOM 432 CB CYS A 31 -6.220 0.366 -4.975 1.00 0.00 C ATOM 433 SG CYS A 31 -6.449 -1.061 -6.083 1.00 0.00 S ATOM 0 H CYS A 31 -4.045 -1.601 -4.069 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.836 1.098 -3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.180 0.623 -4.528 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.904 1.225 -5.567 1.00 0.00 H new ATOM 438 N CYS A 32 -6.786 0.090 -2.027 1.00 0.00 N ATOM 439 CA CYS A 32 -7.494 -0.493 -0.896 1.00 0.00 C ATOM 440 C CYS A 32 -8.456 -1.578 -1.361 1.00 0.00 C ATOM 441 O CYS A 32 -8.406 -2.017 -2.509 1.00 0.00 O ATOM 442 CB CYS A 32 -8.265 0.589 -0.141 1.00 0.00 C ATOM 443 SG CYS A 32 -7.659 0.893 1.549 1.00 0.00 S ATOM 0 H CYS A 32 -7.060 1.047 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.757 -0.942 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.212 1.519 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.316 0.304 -0.093 1.00 0.00 H new ATOM 448 N PHE A 33 -9.337 -2.000 -0.462 1.00 0.00 N ATOM 449 CA PHE A 33 -10.319 -3.027 -0.778 1.00 0.00 C ATOM 450 C PHE A 33 -11.705 -2.412 -0.934 1.00 0.00 C ATOM 451 O PHE A 33 -11.841 -1.212 -1.173 1.00 0.00 O ATOM 452 CB PHE A 33 -10.346 -4.096 0.316 1.00 0.00 C ATOM 453 CG PHE A 33 -8.981 -4.551 0.751 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.160 -3.716 1.493 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.522 -5.817 0.424 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.907 -4.134 1.898 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.271 -6.240 0.825 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.461 -5.398 1.564 1.00 0.00 C ATOM 0 H PHE A 33 -9.391 -1.645 0.493 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.032 -3.493 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.881 -3.704 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.909 -4.957 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.504 -2.727 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -9.151 -6.480 -0.151 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.277 -3.473 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.925 -7.229 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.482 -5.728 1.879 1.00 0.00 H new ATOM 468 N SER A 34 -12.732 -3.242 -0.795 1.00 0.00 N ATOM 469 CA SER A 34 -14.107 -2.781 -0.919 1.00 0.00 C ATOM 470 C SER A 34 -15.035 -3.595 -0.023 1.00 0.00 C ATOM 471 O SER A 34 -14.593 -4.222 0.940 1.00 0.00 O ATOM 472 CB SER A 34 -14.570 -2.880 -2.373 1.00 0.00 C ATOM 473 OG SER A 34 -15.211 -4.119 -2.621 1.00 0.00 O ATOM 0 H SER A 34 -12.637 -4.238 -0.596 1.00 0.00 H new ATOM 0 HA SER A 34 -14.145 -1.739 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.255 -2.062 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.714 -2.770 -3.039 1.00 0.00 H new ATOM 0 HG SER A 34 -15.499 -4.157 -3.557 1.00 0.00 H new ATOM 479 N ARG A 35 -16.323 -3.583 -0.349 1.00 0.00 N ATOM 480 CA ARG A 35 -17.313 -4.324 0.424 1.00 0.00 C ATOM 481 C ARG A 35 -17.755 -5.577 -0.325 1.00 0.00 C ATOM 482 O ARG A 35 -18.924 -5.960 -0.281 1.00 0.00 O ATOM 483 CB ARG A 35 -18.527 -3.439 0.721 1.00 0.00 C ATOM 484 CG ARG A 35 -19.552 -3.413 -0.401 1.00 0.00 C ATOM 485 CD ARG A 35 -20.357 -2.124 -0.390 1.00 0.00 C ATOM 486 NE ARG A 35 -21.661 -2.298 0.248 1.00 0.00 N ATOM 487 CZ ARG A 35 -22.724 -1.552 -0.036 1.00 0.00 C ATOM 488 NH1 ARG A 35 -22.637 -0.592 -0.945 1.00 0.00 N ATOM 489 NH2 ARG A 35 -23.874 -1.766 0.590 1.00 0.00 N ATOM 0 H ARG A 35 -16.706 -3.069 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 35 -16.854 -4.625 1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -19.008 -3.792 1.633 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.186 -2.422 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.046 -3.519 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -20.225 -4.264 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.796 -1.351 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -20.498 -1.776 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 35 -21.761 -3.032 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.754 -0.425 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -23.453 -0.020 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -23.944 -2.504 1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -24.688 -1.192 0.371 1.00 0.00 H new ATOM 503 N ALA A 36 -16.812 -6.209 -1.015 1.00 0.00 N ATOM 504 CA ALA A 36 -17.105 -7.416 -1.776 1.00 0.00 C ATOM 505 C ALA A 36 -18.147 -7.140 -2.853 1.00 0.00 C ATOM 506 O ALA A 36 -18.994 -6.259 -2.701 1.00 0.00 O ATOM 507 CB ALA A 36 -17.581 -8.521 -0.846 1.00 0.00 C ATOM 0 H ALA A 36 -15.839 -5.905 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 36 -16.189 -7.742 -2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.797 -9.418 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.804 -8.741 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -18.484 -8.198 -0.329 1.00 0.00 H new ATOM 513 N TYR A 37 -18.082 -7.899 -3.942 1.00 0.00 N ATOM 514 CA TYR A 37 -19.023 -7.735 -5.042 1.00 0.00 C ATOM 515 C TYR A 37 -19.495 -9.091 -5.554 1.00 0.00 C ATOM 516 O TYR A 37 -19.025 -9.579 -6.581 1.00 0.00 O ATOM 517 CB TYR A 37 -18.385 -6.941 -6.181 1.00 0.00 C ATOM 518 CG TYR A 37 -19.375 -6.514 -7.240 1.00 0.00 C ATOM 519 CD1 TYR A 37 -20.350 -5.563 -6.966 1.00 0.00 C ATOM 520 CD2 TYR A 37 -19.338 -7.065 -8.515 1.00 0.00 C ATOM 521 CE1 TYR A 37 -21.261 -5.175 -7.929 1.00 0.00 C ATOM 522 CE2 TYR A 37 -20.244 -6.681 -9.485 1.00 0.00 C ATOM 523 CZ TYR A 37 -21.203 -5.736 -9.188 1.00 0.00 C ATOM 524 OH TYR A 37 -22.109 -5.351 -10.151 1.00 0.00 O ATOM 0 H TYR A 37 -17.388 -8.633 -4.086 1.00 0.00 H new ATOM 0 HA TYR A 37 -19.886 -7.183 -4.669 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.899 -6.056 -5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.606 -7.546 -6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -20.396 -5.119 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.589 -7.806 -8.752 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -22.014 -4.437 -7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -20.201 -7.119 -10.471 1.00 0.00 H new ATOM 0 HH TYR A 37 -21.931 -5.839 -10.982 1.00 0.00 H new ATOM 534 N PRO A 38 -20.437 -9.712 -4.835 1.00 0.00 N ATOM 535 CA PRO A 38 -20.987 -11.020 -5.205 1.00 0.00 C ATOM 536 C PRO A 38 -21.510 -11.042 -6.638 1.00 0.00 C ATOM 537 O PRO A 38 -21.124 -10.215 -7.465 1.00 0.00 O ATOM 538 CB PRO A 38 -22.137 -11.219 -4.215 1.00 0.00 C ATOM 539 CG PRO A 38 -21.801 -10.355 -3.049 1.00 0.00 C ATOM 540 CD PRO A 38 -21.040 -9.181 -3.602 1.00 0.00 C ATOM 0 HA PRO A 38 -20.232 -11.805 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -23.091 -10.931 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -22.225 -12.264 -3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -22.704 -10.026 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -21.200 -10.900 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -21.698 -8.337 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -20.281 -8.830 -2.903 1.00 0.00 H new ATOM 548 N THR A 39 -22.391 -11.995 -6.925 1.00 0.00 N ATOM 549 CA THR A 39 -22.973 -12.127 -8.255 1.00 0.00 C ATOM 550 C THR A 39 -24.494 -12.017 -8.190 1.00 0.00 C ATOM 551 O THR A 39 -25.211 -12.968 -8.502 1.00 0.00 O ATOM 552 CB THR A 39 -22.569 -13.467 -8.879 1.00 0.00 C ATOM 553 OG1 THR A 39 -21.291 -13.866 -8.415 1.00 0.00 O ATOM 554 CG2 THR A 39 -22.525 -13.437 -10.393 1.00 0.00 C ATOM 0 H THR A 39 -22.718 -12.689 -6.252 1.00 0.00 H new ATOM 0 HA THR A 39 -22.593 -11.317 -8.878 1.00 0.00 H new ATOM 0 HB THR A 39 -23.340 -14.175 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.049 -14.724 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.232 -14.418 -10.768 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.511 -13.180 -10.781 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.800 -12.692 -10.721 1.00 0.00 H new ATOM 562 N PRO A 40 -25.001 -10.845 -7.778 1.00 0.00 N ATOM 563 CA PRO A 40 -26.442 -10.598 -7.664 1.00 0.00 C ATOM 564 C PRO A 40 -27.152 -10.700 -9.010 1.00 0.00 C ATOM 565 O PRO A 40 -26.858 -9.947 -9.937 1.00 0.00 O ATOM 566 CB PRO A 40 -26.525 -9.166 -7.121 1.00 0.00 C ATOM 567 CG PRO A 40 -25.207 -8.552 -7.444 1.00 0.00 C ATOM 568 CD PRO A 40 -24.207 -9.671 -7.391 1.00 0.00 C ATOM 0 HA PRO A 40 -26.930 -11.334 -7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -27.342 -8.614 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -26.709 -9.162 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.223 -8.089 -8.431 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -24.955 -7.769 -6.729 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.376 -9.502 -8.076 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -23.780 -9.784 -6.394 1.00 0.00 H new ATOM 576 N LEU A 41 -28.083 -11.643 -9.110 1.00 0.00 N ATOM 577 CA LEU A 41 -28.832 -11.849 -10.345 1.00 0.00 C ATOM 578 C LEU A 41 -30.307 -11.520 -10.157 1.00 0.00 C ATOM 579 O LEU A 41 -30.690 -10.837 -9.208 1.00 0.00 O ATOM 580 CB LEU A 41 -28.690 -13.297 -10.814 1.00 0.00 C ATOM 581 CG LEU A 41 -27.274 -13.871 -10.744 1.00 0.00 C ATOM 582 CD1 LEU A 41 -27.200 -15.187 -11.499 1.00 0.00 C ATOM 583 CD2 LEU A 41 -26.267 -12.876 -11.302 1.00 0.00 C ATOM 0 H LEU A 41 -28.337 -12.276 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 41 -28.420 -11.178 -11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -29.348 -13.923 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -29.041 -13.364 -11.844 1.00 0.00 H new ATOM 0 HG LEU A 41 -27.027 -14.058 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -26.186 -15.584 -11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -27.895 -15.900 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -27.466 -15.023 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -25.265 -13.301 -11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -26.509 -12.658 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -26.304 -11.955 -10.720 1.00 0.00 H new ATOM 595 N ARG A 42 -31.129 -12.020 -11.073 1.00 0.00 N ATOM 596 CA ARG A 42 -32.566 -11.793 -11.020 1.00 0.00 C ATOM 597 C ARG A 42 -33.241 -12.826 -10.124 1.00 0.00 C ATOM 598 O ARG A 42 -34.163 -13.522 -10.547 1.00 0.00 O ATOM 599 CB ARG A 42 -33.158 -11.854 -12.429 1.00 0.00 C ATOM 600 CG ARG A 42 -34.673 -11.760 -12.457 1.00 0.00 C ATOM 601 CD ARG A 42 -35.192 -10.815 -11.386 1.00 0.00 C ATOM 602 NE ARG A 42 -36.632 -10.951 -11.192 1.00 0.00 N ATOM 603 CZ ARG A 42 -37.535 -10.203 -11.816 1.00 0.00 C ATOM 604 NH1 ARG A 42 -37.150 -9.269 -12.675 1.00 0.00 N ATOM 605 NH2 ARG A 42 -38.826 -10.388 -11.581 1.00 0.00 N ATOM 0 H ARG A 42 -30.822 -12.587 -11.863 1.00 0.00 H new ATOM 0 HA ARG A 42 -32.744 -10.803 -10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -32.741 -11.042 -13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -32.851 -12.787 -12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -34.999 -11.414 -13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -35.103 -12.751 -12.309 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -34.678 -11.015 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -34.959 -9.787 -11.664 1.00 0.00 H new ATOM 0 HE ARG A 42 -36.964 -11.661 -10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -36.157 -9.123 -12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -37.847 -8.697 -13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -39.127 -11.105 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -39.519 -9.813 -12.060 1.00 0.00 H new ATOM 619 N SER A 43 -32.772 -12.919 -8.884 1.00 0.00 N ATOM 620 CA SER A 43 -33.330 -13.866 -7.925 1.00 0.00 C ATOM 621 C SER A 43 -33.354 -13.266 -6.523 1.00 0.00 C ATOM 622 O SER A 43 -34.409 -12.880 -6.020 1.00 0.00 O ATOM 623 CB SER A 43 -32.518 -15.163 -7.922 1.00 0.00 C ATOM 624 OG SER A 43 -32.998 -16.061 -6.936 1.00 0.00 O ATOM 0 H SER A 43 -32.007 -12.351 -8.520 1.00 0.00 H new ATOM 0 HA SER A 43 -34.354 -14.088 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 43 -32.573 -15.633 -8.904 1.00 0.00 H new ATOM 0 HB3 SER A 43 -31.468 -14.938 -7.734 1.00 0.00 H new ATOM 0 HG SER A 43 -32.465 -16.883 -6.955 1.00 0.00 H new ATOM 630 N LYS A 44 -32.183 -13.189 -5.899 1.00 0.00 N ATOM 631 CA LYS A 44 -32.068 -12.634 -4.556 1.00 0.00 C ATOM 632 C LYS A 44 -30.738 -11.906 -4.381 1.00 0.00 C ATOM 633 O LYS A 44 -30.088 -11.537 -5.357 1.00 0.00 O ATOM 634 CB LYS A 44 -32.199 -13.743 -3.509 1.00 0.00 C ATOM 635 CG LYS A 44 -33.145 -14.862 -3.919 1.00 0.00 C ATOM 636 CD LYS A 44 -33.631 -15.651 -2.714 1.00 0.00 C ATOM 637 CE LYS A 44 -35.123 -15.930 -2.797 1.00 0.00 C ATOM 638 NZ LYS A 44 -35.920 -14.675 -2.875 1.00 0.00 N ATOM 0 H LYS A 44 -31.301 -13.504 -6.302 1.00 0.00 H new ATOM 0 HA LYS A 44 -32.876 -11.916 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -31.213 -14.165 -3.315 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -32.549 -13.308 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -34.000 -14.441 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -32.638 -15.532 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -33.086 -16.593 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -33.414 -15.095 -1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -35.329 -16.546 -3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -35.434 -16.504 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -36.857 -14.832 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -35.428 -13.919 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -36.033 -14.397 -3.871 1.00 0.00 H new ATOM 652 N LYS A 45 -30.341 -11.704 -3.128 1.00 0.00 N ATOM 653 CA LYS A 45 -29.089 -11.021 -2.822 1.00 0.00 C ATOM 654 C LYS A 45 -28.460 -11.587 -1.552 1.00 0.00 C ATOM 655 O LYS A 45 -28.801 -11.178 -0.443 1.00 0.00 O ATOM 656 CB LYS A 45 -29.328 -9.519 -2.665 1.00 0.00 C ATOM 657 CG LYS A 45 -28.424 -8.665 -3.540 1.00 0.00 C ATOM 658 CD LYS A 45 -29.212 -7.955 -4.630 1.00 0.00 C ATOM 659 CE LYS A 45 -29.376 -6.476 -4.327 1.00 0.00 C ATOM 660 NZ LYS A 45 -29.683 -5.691 -5.553 1.00 0.00 N ATOM 0 H LYS A 45 -30.869 -12.004 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.400 -11.185 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -30.368 -9.298 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -29.177 -9.242 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -27.909 -7.928 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.657 -9.292 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -28.703 -8.077 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -30.194 -8.418 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -30.176 -6.341 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -28.462 -6.095 -3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -29.788 -4.686 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.908 -5.800 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -30.568 -6.038 -5.974 1.00 0.00 H new ATOM 674 N THR A 46 -27.542 -12.533 -1.725 1.00 0.00 N ATOM 675 CA THR A 46 -26.868 -13.157 -0.594 1.00 0.00 C ATOM 676 C THR A 46 -25.519 -12.498 -0.330 1.00 0.00 C ATOM 677 O THR A 46 -25.315 -11.328 -0.655 1.00 0.00 O ATOM 678 CB THR A 46 -26.674 -14.652 -0.853 1.00 0.00 C ATOM 679 OG1 THR A 46 -25.656 -14.865 -1.815 1.00 0.00 O ATOM 680 CG2 THR A 46 -27.925 -15.339 -1.350 1.00 0.00 C ATOM 0 H THR A 46 -27.249 -12.883 -2.637 1.00 0.00 H new ATOM 0 HA THR A 46 -27.495 -13.024 0.288 1.00 0.00 H new ATOM 0 HB THR A 46 -26.402 -15.080 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 46 -25.545 -15.827 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 46 -27.719 -16.397 -1.514 1.00 0.00 H new ATOM 0 HG22 THR A 46 -28.717 -15.234 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 46 -28.243 -14.882 -2.287 1.00 0.00 H new ATOM 688 N MET A 47 -24.601 -13.256 0.261 1.00 0.00 N ATOM 689 CA MET A 47 -23.271 -12.747 0.568 1.00 0.00 C ATOM 690 C MET A 47 -23.340 -11.294 1.028 1.00 0.00 C ATOM 691 O MET A 47 -22.581 -10.447 0.558 1.00 0.00 O ATOM 692 CB MET A 47 -22.361 -12.866 -0.655 1.00 0.00 C ATOM 693 CG MET A 47 -20.882 -12.737 -0.330 1.00 0.00 C ATOM 694 SD MET A 47 -19.911 -14.133 -0.932 1.00 0.00 S ATOM 695 CE MET A 47 -20.982 -15.503 -0.499 1.00 0.00 C ATOM 0 H MET A 47 -24.755 -14.226 0.537 1.00 0.00 H new ATOM 0 HA MET A 47 -22.856 -13.347 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 47 -22.536 -13.829 -1.135 1.00 0.00 H new ATOM 0 HB3 MET A 47 -22.634 -12.096 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 47 -20.497 -11.816 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 47 -20.758 -12.652 0.750 1.00 0.00 H new ATOM 0 HE1 MET A 47 -20.379 -16.392 -0.315 1.00 0.00 H new ATOM 0 HE2 MET A 47 -21.546 -15.254 0.400 1.00 0.00 H new ATOM 0 HE3 MET A 47 -21.674 -15.697 -1.319 1.00 0.00 H new ATOM 705 N LEU A 48 -24.258 -11.014 1.948 1.00 0.00 N ATOM 706 CA LEU A 48 -24.429 -9.663 2.471 1.00 0.00 C ATOM 707 C LEU A 48 -24.940 -9.692 3.907 1.00 0.00 C ATOM 708 O LEU A 48 -26.146 -9.771 4.144 1.00 0.00 O ATOM 709 CB LEU A 48 -25.404 -8.873 1.595 1.00 0.00 C ATOM 710 CG LEU A 48 -24.752 -7.964 0.553 1.00 0.00 C ATOM 711 CD1 LEU A 48 -25.400 -8.165 -0.808 1.00 0.00 C ATOM 712 CD2 LEU A 48 -24.847 -6.508 0.982 1.00 0.00 C ATOM 0 H LEU A 48 -24.895 -11.704 2.346 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.455 -9.174 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -26.058 -9.577 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -26.036 -8.264 2.241 1.00 0.00 H new ATOM 0 HG LEU A 48 -23.698 -8.230 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -24.924 -7.510 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -25.280 -9.203 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -26.462 -7.926 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -24.378 -5.875 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -25.895 -6.228 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.336 -6.376 1.936 1.00 0.00 H new ATOM 724 N VAL A 49 -24.020 -9.618 4.863 1.00 0.00 N ATOM 725 CA VAL A 49 -24.387 -9.627 6.273 1.00 0.00 C ATOM 726 C VAL A 49 -24.071 -8.283 6.919 1.00 0.00 C ATOM 727 O VAL A 49 -23.717 -7.325 6.232 1.00 0.00 O ATOM 728 CB VAL A 49 -23.662 -10.748 7.042 1.00 0.00 C ATOM 729 CG1 VAL A 49 -24.495 -12.020 7.044 1.00 0.00 C ATOM 730 CG2 VAL A 49 -22.288 -11.004 6.446 1.00 0.00 C ATOM 0 H VAL A 49 -23.017 -9.551 4.687 1.00 0.00 H new ATOM 0 HA VAL A 49 -25.460 -9.812 6.325 1.00 0.00 H new ATOM 0 HB VAL A 49 -23.530 -10.426 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -23.966 -12.800 7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -25.454 -11.826 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -24.662 -12.347 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -21.792 -11.799 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.394 -11.303 5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -21.691 -10.094 6.504 1.00 0.00 H new ATOM 740 N GLN A 50 -24.205 -8.210 8.239 1.00 0.00 N ATOM 741 CA GLN A 50 -23.937 -6.973 8.961 1.00 0.00 C ATOM 742 C GLN A 50 -22.449 -6.814 9.256 1.00 0.00 C ATOM 743 O GLN A 50 -22.023 -6.872 10.409 1.00 0.00 O ATOM 744 CB GLN A 50 -24.736 -6.930 10.264 1.00 0.00 C ATOM 745 CG GLN A 50 -25.878 -5.928 10.238 1.00 0.00 C ATOM 746 CD GLN A 50 -26.514 -5.731 11.599 1.00 0.00 C ATOM 747 OE1 GLN A 50 -25.978 -5.025 12.452 1.00 0.00 O ATOM 748 NE2 GLN A 50 -27.666 -6.357 11.809 1.00 0.00 N ATOM 0 H GLN A 50 -24.496 -8.990 8.828 1.00 0.00 H new ATOM 0 HA GLN A 50 -24.248 -6.144 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -25.138 -7.922 10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -24.064 -6.683 11.086 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -25.507 -4.970 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -26.637 -6.266 9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -28.075 -6.933 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -28.142 -6.262 12.706 1.00 0.00 H new ATOM 757 N LYS A 51 -21.666 -6.604 8.202 1.00 0.00 N ATOM 758 CA LYS A 51 -20.226 -6.424 8.344 1.00 0.00 C ATOM 759 C LYS A 51 -19.850 -4.964 8.126 1.00 0.00 C ATOM 760 O LYS A 51 -19.762 -4.501 6.988 1.00 0.00 O ATOM 761 CB LYS A 51 -19.475 -7.308 7.346 1.00 0.00 C ATOM 762 CG LYS A 51 -19.619 -8.795 7.618 1.00 0.00 C ATOM 763 CD LYS A 51 -19.434 -9.611 6.349 1.00 0.00 C ATOM 764 CE LYS A 51 -18.090 -9.329 5.701 1.00 0.00 C ATOM 765 NZ LYS A 51 -17.084 -10.373 6.040 1.00 0.00 N ATOM 0 H LYS A 51 -22.005 -6.554 7.241 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.943 -6.715 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.838 -7.095 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.417 -7.045 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.884 -9.103 8.361 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.603 -8.995 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.511 -10.673 6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.234 -9.380 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.211 -9.279 4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.727 -8.354 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.180 -10.146 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.950 -10.404 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.419 -11.299 5.707 1.00 0.00 H new ATOM 779 N ASN A 52 -19.636 -4.241 9.221 1.00 0.00 N ATOM 780 CA ASN A 52 -19.277 -2.830 9.147 1.00 0.00 C ATOM 781 C ASN A 52 -18.474 -2.533 7.888 1.00 0.00 C ATOM 782 O ASN A 52 -17.268 -2.772 7.838 1.00 0.00 O ATOM 783 CB ASN A 52 -18.477 -2.416 10.382 1.00 0.00 C ATOM 784 CG ASN A 52 -18.288 -0.911 10.479 1.00 0.00 C ATOM 785 OD1 ASN A 52 -17.550 -0.424 11.334 1.00 0.00 O ATOM 786 ND2 ASN A 52 -18.956 -0.164 9.604 1.00 0.00 N ATOM 0 H ASN A 52 -19.705 -4.609 10.170 1.00 0.00 H new ATOM 0 HA ASN A 52 -20.201 -2.253 9.110 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.987 -2.773 11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.501 -2.900 10.357 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.866 0.852 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.558 -0.607 8.910 1.00 0.00 H new ATOM 793 N VAL A 53 -19.151 -2.011 6.873 1.00 0.00 N ATOM 794 CA VAL A 53 -18.500 -1.681 5.613 1.00 0.00 C ATOM 795 C VAL A 53 -17.325 -0.737 5.839 1.00 0.00 C ATOM 796 O VAL A 53 -17.367 0.119 6.722 1.00 0.00 O ATOM 797 CB VAL A 53 -19.483 -1.028 4.623 1.00 0.00 C ATOM 798 CG1 VAL A 53 -18.817 -0.818 3.273 1.00 0.00 C ATOM 799 CG2 VAL A 53 -20.742 -1.871 4.479 1.00 0.00 C ATOM 0 H VAL A 53 -20.150 -1.807 6.898 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.140 -2.618 5.188 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.772 -0.054 5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.526 -0.356 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.950 -0.168 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.497 -1.780 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -21.422 -1.391 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.476 -2.861 4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.230 -1.965 5.449 1.00 0.00 H new ATOM 809 N THR A 54 -16.278 -0.895 5.036 1.00 0.00 N ATOM 810 CA THR A 54 -15.096 -0.051 5.153 1.00 0.00 C ATOM 811 C THR A 54 -15.274 1.235 4.344 1.00 0.00 C ATOM 812 O THR A 54 -16.314 1.886 4.425 1.00 0.00 O ATOM 813 CB THR A 54 -13.851 -0.811 4.689 1.00 0.00 C ATOM 814 OG1 THR A 54 -13.990 -1.225 3.343 1.00 0.00 O ATOM 815 CG2 THR A 54 -13.557 -2.041 5.522 1.00 0.00 C ATOM 0 H THR A 54 -16.224 -1.598 4.299 1.00 0.00 H new ATOM 0 HA THR A 54 -14.965 0.219 6.201 1.00 0.00 H new ATOM 0 HB THR A 54 -13.024 -0.110 4.802 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.184 -1.707 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.663 -2.533 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.395 -1.748 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.401 -2.728 5.467 1.00 0.00 H new ATOM 823 N SER A 55 -14.256 1.600 3.565 1.00 0.00 N ATOM 824 CA SER A 55 -14.318 2.810 2.751 1.00 0.00 C ATOM 825 C SER A 55 -14.195 2.481 1.266 1.00 0.00 C ATOM 826 O SER A 55 -14.096 1.314 0.886 1.00 0.00 O ATOM 827 CB SER A 55 -13.209 3.779 3.162 1.00 0.00 C ATOM 828 OG SER A 55 -12.152 3.095 3.814 1.00 0.00 O ATOM 0 H SER A 55 -13.384 1.077 3.482 1.00 0.00 H new ATOM 0 HA SER A 55 -15.287 3.279 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.825 4.293 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.616 4.543 3.825 1.00 0.00 H new ATOM 0 HG SER A 55 -11.454 3.735 4.066 1.00 0.00 H new ATOM 834 N GLU A 56 -14.204 3.516 0.432 1.00 0.00 N ATOM 835 CA GLU A 56 -14.095 3.337 -1.012 1.00 0.00 C ATOM 836 C GLU A 56 -12.800 3.949 -1.542 1.00 0.00 C ATOM 837 O GLU A 56 -11.740 3.325 -1.484 1.00 0.00 O ATOM 838 CB GLU A 56 -15.299 3.962 -1.717 1.00 0.00 C ATOM 839 CG GLU A 56 -16.565 3.124 -1.624 1.00 0.00 C ATOM 840 CD GLU A 56 -17.794 3.868 -2.106 1.00 0.00 C ATOM 841 OE1 GLU A 56 -17.966 3.995 -3.337 1.00 0.00 O ATOM 842 OE2 GLU A 56 -18.584 4.325 -1.254 1.00 0.00 O ATOM 0 H GLU A 56 -14.286 4.488 0.731 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.079 2.267 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.492 4.944 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.053 4.118 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.440 2.216 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.715 2.813 -0.590 1.00 0.00 H new ATOM 849 N SER A 57 -12.890 5.172 -2.059 1.00 0.00 N ATOM 850 CA SER A 57 -11.723 5.862 -2.599 1.00 0.00 C ATOM 851 C SER A 57 -10.491 5.614 -1.734 1.00 0.00 C ATOM 852 O SER A 57 -9.774 4.631 -1.925 1.00 0.00 O ATOM 853 CB SER A 57 -11.990 7.364 -2.705 1.00 0.00 C ATOM 854 OG SER A 57 -10.798 8.109 -2.520 1.00 0.00 O ATOM 0 H SER A 57 -13.758 5.704 -2.115 1.00 0.00 H new ATOM 0 HA SER A 57 -11.532 5.464 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.417 7.592 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.727 7.659 -1.958 1.00 0.00 H new ATOM 0 HG SER A 57 -10.996 9.066 -2.594 1.00 0.00 H new ATOM 860 N THR A 58 -10.252 6.514 -0.785 1.00 0.00 N ATOM 861 CA THR A 58 -9.106 6.396 0.110 1.00 0.00 C ATOM 862 C THR A 58 -7.816 6.203 -0.683 1.00 0.00 C ATOM 863 O THR A 58 -7.847 5.875 -1.869 1.00 0.00 O ATOM 864 CB THR A 58 -9.301 5.229 1.081 1.00 0.00 C ATOM 865 OG1 THR A 58 -10.342 4.376 0.636 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.638 5.671 2.488 1.00 0.00 C ATOM 0 H THR A 58 -10.836 7.333 -0.616 1.00 0.00 H new ATOM 0 HA THR A 58 -9.028 7.321 0.681 1.00 0.00 H new ATOM 0 HB THR A 58 -8.344 4.707 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.143 4.063 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.763 4.795 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.830 6.291 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.564 6.246 2.477 1.00 0.00 H new ATOM 874 N CYS A 59 -6.684 6.410 -0.021 1.00 0.00 N ATOM 875 CA CYS A 59 -5.386 6.257 -0.666 1.00 0.00 C ATOM 876 C CYS A 59 -4.312 5.891 0.351 1.00 0.00 C ATOM 877 O CYS A 59 -4.394 6.267 1.519 1.00 0.00 O ATOM 878 CB CYS A 59 -4.996 7.543 -1.396 1.00 0.00 C ATOM 879 SG CYS A 59 -6.217 8.099 -2.628 1.00 0.00 S ATOM 0 H CYS A 59 -6.639 6.684 0.961 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.465 5.448 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.851 8.335 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.038 7.390 -1.893 1.00 0.00 H new ATOM 884 N CYS A 60 -3.305 5.154 -0.104 1.00 0.00 N ATOM 885 CA CYS A 60 -2.213 4.735 0.763 1.00 0.00 C ATOM 886 C CYS A 60 -1.029 5.690 0.644 1.00 0.00 C ATOM 887 O CYS A 60 -0.567 5.987 -0.457 1.00 0.00 O ATOM 888 CB CYS A 60 -1.774 3.311 0.410 1.00 0.00 C ATOM 889 SG CYS A 60 -2.979 2.391 -0.601 1.00 0.00 S ATOM 0 H CYS A 60 -3.223 4.835 -1.069 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.569 4.753 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.826 3.357 -0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.593 2.759 1.332 1.00 0.00 H new ATOM 894 N VAL A 61 -0.544 6.166 1.786 1.00 0.00 N ATOM 895 CA VAL A 61 0.588 7.085 1.816 1.00 0.00 C ATOM 896 C VAL A 61 1.628 6.627 2.831 1.00 0.00 C ATOM 897 O VAL A 61 1.878 7.307 3.825 1.00 0.00 O ATOM 898 CB VAL A 61 0.143 8.516 2.170 1.00 0.00 C ATOM 899 CG1 VAL A 61 1.338 9.458 2.192 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.916 9.004 1.192 1.00 0.00 C ATOM 0 H VAL A 61 -0.918 5.930 2.705 1.00 0.00 H new ATOM 0 HA VAL A 61 1.025 7.087 0.817 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.297 8.504 3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.003 10.464 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.056 9.117 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.811 9.468 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.218 10.017 1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.507 9.001 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.782 8.344 1.235 1.00 0.00 H new ATOM 910 N ALA A 62 2.222 5.465 2.571 1.00 0.00 N ATOM 911 CA ALA A 62 3.233 4.891 3.454 1.00 0.00 C ATOM 912 C ALA A 62 3.144 5.457 4.869 1.00 0.00 C ATOM 913 O ALA A 62 3.597 6.570 5.133 1.00 0.00 O ATOM 914 CB ALA A 62 4.627 5.114 2.889 1.00 0.00 C ATOM 0 H ALA A 62 2.018 4.898 1.748 1.00 0.00 H new ATOM 0 HA ALA A 62 3.038 3.820 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.366 4.679 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.703 4.640 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.812 6.183 2.789 1.00 0.00 H new ATOM 920 N LYS A 63 2.587 4.667 5.779 1.00 0.00 N ATOM 921 CA LYS A 63 2.467 5.065 7.173 1.00 0.00 C ATOM 922 C LYS A 63 3.833 5.460 7.702 1.00 0.00 C ATOM 923 O LYS A 63 3.970 6.381 8.508 1.00 0.00 O ATOM 924 CB LYS A 63 1.914 3.907 8.001 1.00 0.00 C ATOM 925 CG LYS A 63 1.493 4.310 9.405 1.00 0.00 C ATOM 926 CD LYS A 63 1.262 3.096 10.291 1.00 0.00 C ATOM 927 CE LYS A 63 0.616 3.486 11.610 1.00 0.00 C ATOM 928 NZ LYS A 63 1.459 3.105 12.778 1.00 0.00 N ATOM 0 H LYS A 63 2.210 3.742 5.573 1.00 0.00 H new ATOM 0 HA LYS A 63 1.785 5.912 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.057 3.478 7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.671 3.125 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.262 4.943 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.580 4.904 9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.626 2.380 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.212 2.598 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.442 4.562 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.358 3.004 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.982 3.389 13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.605 2.075 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.379 3.585 12.713 1.00 0.00 H new ATOM 942 N SER A 64 4.841 4.747 7.221 1.00 0.00 N ATOM 943 CA SER A 64 6.221 4.991 7.606 1.00 0.00 C ATOM 944 C SER A 64 7.133 4.703 6.424 1.00 0.00 C ATOM 945 O SER A 64 7.049 3.641 5.812 1.00 0.00 O ATOM 946 CB SER A 64 6.606 4.125 8.807 1.00 0.00 C ATOM 947 OG SER A 64 5.731 4.351 9.900 1.00 0.00 O ATOM 0 H SER A 64 4.724 3.984 6.554 1.00 0.00 H new ATOM 0 HA SER A 64 6.332 6.036 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.576 3.073 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.631 4.346 9.105 1.00 0.00 H new ATOM 0 HG SER A 64 5.997 3.785 10.654 1.00 0.00 H new ATOM 953 N TYR A 65 7.978 5.664 6.087 1.00 0.00 N ATOM 954 CA TYR A 65 8.875 5.519 4.952 1.00 0.00 C ATOM 955 C TYR A 65 10.323 5.428 5.366 1.00 0.00 C ATOM 956 O TYR A 65 10.695 5.766 6.490 1.00 0.00 O ATOM 957 CB TYR A 65 8.725 6.710 4.019 1.00 0.00 C ATOM 958 CG TYR A 65 8.462 8.017 4.728 1.00 0.00 C ATOM 959 CD1 TYR A 65 9.216 8.398 5.830 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.457 8.870 4.293 1.00 0.00 C ATOM 961 CE1 TYR A 65 8.976 9.595 6.479 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.210 10.068 4.935 1.00 0.00 C ATOM 963 CZ TYR A 65 7.972 10.426 6.028 1.00 0.00 C ATOM 964 OH TYR A 65 7.730 11.618 6.672 1.00 0.00 O ATOM 0 H TYR A 65 8.062 6.552 6.582 1.00 0.00 H new ATOM 0 HA TYR A 65 8.599 4.590 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.632 6.808 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.908 6.514 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 65 10.002 7.749 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.858 8.592 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.572 9.878 7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.425 10.721 4.583 1.00 0.00 H new ATOM 0 HH TYR A 65 6.991 12.085 6.229 1.00 0.00 H new ATOM 974 N ASN A 66 11.142 5.011 4.416 1.00 0.00 N ATOM 975 CA ASN A 66 12.575 4.923 4.639 1.00 0.00 C ATOM 976 C ASN A 66 13.274 5.553 3.462 1.00 0.00 C ATOM 977 O ASN A 66 14.388 5.192 3.082 1.00 0.00 O ATOM 978 CB ASN A 66 13.018 3.483 4.835 1.00 0.00 C ATOM 979 CG ASN A 66 13.565 3.228 6.226 1.00 0.00 C ATOM 980 OD1 ASN A 66 12.897 3.493 7.226 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.788 2.714 6.296 1.00 0.00 N ATOM 0 H ASN A 66 10.840 4.728 3.484 1.00 0.00 H new ATOM 0 HA ASN A 66 12.837 5.455 5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.173 2.818 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.782 3.238 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.210 2.523 7.205 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.305 2.510 5.441 1.00 0.00 H new ATOM 988 N ARG A 67 12.560 6.505 2.906 1.00 0.00 N ATOM 989 CA ARG A 67 12.999 7.270 1.750 1.00 0.00 C ATOM 990 C ARG A 67 14.491 7.122 1.516 1.00 0.00 C ATOM 991 O ARG A 67 15.306 7.375 2.403 1.00 0.00 O ATOM 992 CB ARG A 67 12.643 8.739 1.944 1.00 0.00 C ATOM 993 CG ARG A 67 12.914 9.219 3.351 1.00 0.00 C ATOM 994 CD ARG A 67 13.039 10.732 3.420 1.00 0.00 C ATOM 995 NE ARG A 67 12.168 11.398 2.457 1.00 0.00 N ATOM 996 CZ ARG A 67 12.419 12.600 1.950 1.00 0.00 C ATOM 997 NH1 ARG A 67 13.508 13.261 2.316 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.581 13.141 1.076 1.00 0.00 N ATOM 0 H ARG A 67 11.639 6.778 3.248 1.00 0.00 H new ATOM 0 HA ARG A 67 12.486 6.880 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.215 9.344 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.589 8.888 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.108 8.891 4.008 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.832 8.762 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.792 11.070 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.074 11.019 3.232 1.00 0.00 H new ATOM 0 HE ARG A 67 11.321 10.915 2.157 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.154 12.847 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.700 14.184 1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.743 12.634 0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.775 14.064 0.688 1.00 0.00 H new ATOM 1012 N VAL A 68 14.829 6.714 0.308 1.00 0.00 N ATOM 1013 CA VAL A 68 16.218 6.528 -0.084 1.00 0.00 C ATOM 1014 C VAL A 68 16.503 7.264 -1.378 1.00 0.00 C ATOM 1015 O VAL A 68 17.181 6.746 -2.265 1.00 0.00 O ATOM 1016 CB VAL A 68 16.569 5.033 -0.262 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.977 4.198 0.868 1.00 0.00 C ATOM 1018 CG2 VAL A 68 16.084 4.516 -1.613 1.00 0.00 C ATOM 0 H VAL A 68 14.155 6.502 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 68 16.836 6.933 0.717 1.00 0.00 H new ATOM 0 HB VAL A 68 17.654 4.939 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 68 16.237 3.150 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 68 16.377 4.541 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.892 4.306 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.343 3.462 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.002 4.632 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.560 5.084 -2.412 1.00 0.00 H new ATOM 1028 N THR A 69 15.970 8.475 -1.475 1.00 0.00 N ATOM 1029 CA THR A 69 16.144 9.297 -2.668 1.00 0.00 C ATOM 1030 C THR A 69 17.171 8.680 -3.598 1.00 0.00 C ATOM 1031 O THR A 69 18.332 8.501 -3.230 1.00 0.00 O ATOM 1032 CB THR A 69 16.566 10.716 -2.314 1.00 0.00 C ATOM 1033 OG1 THR A 69 15.551 11.380 -1.580 1.00 0.00 O ATOM 1034 CG2 THR A 69 16.866 11.539 -3.544 1.00 0.00 C ATOM 0 H THR A 69 15.412 8.912 -0.741 1.00 0.00 H new ATOM 0 HA THR A 69 15.179 9.341 -3.173 1.00 0.00 H new ATOM 0 HB THR A 69 17.470 10.624 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.846 12.289 -1.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.163 12.544 -3.246 1.00 0.00 H new ATOM 0 HG22 THR A 69 17.676 11.073 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.976 11.595 -4.171 1.00 0.00 H new ATOM 1042 N VAL A 70 16.735 8.333 -4.797 1.00 0.00 N ATOM 1043 CA VAL A 70 17.617 7.709 -5.765 1.00 0.00 C ATOM 1044 C VAL A 70 17.654 8.473 -7.073 1.00 0.00 C ATOM 1045 O VAL A 70 17.127 9.581 -7.187 1.00 0.00 O ATOM 1046 CB VAL A 70 17.191 6.259 -6.060 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.374 5.311 -5.930 1.00 0.00 C ATOM 1048 CG2 VAL A 70 16.052 5.829 -5.143 1.00 0.00 C ATOM 0 H VAL A 70 15.778 8.473 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 70 18.611 7.717 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 70 16.832 6.216 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 70 18.049 4.293 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 19.151 5.600 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 70 18.771 5.361 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 15.769 4.801 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 70 16.377 5.894 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 70 15.194 6.484 -5.297 1.00 0.00 H new ATOM 1058 N MET A 71 18.291 7.861 -8.056 1.00 0.00 N ATOM 1059 CA MET A 71 18.424 8.452 -9.374 1.00 0.00 C ATOM 1060 C MET A 71 18.557 9.960 -9.278 1.00 0.00 C ATOM 1061 O MET A 71 19.400 10.480 -8.546 1.00 0.00 O ATOM 1062 CB MET A 71 17.223 8.096 -10.243 1.00 0.00 C ATOM 1063 CG MET A 71 16.806 6.652 -10.128 1.00 0.00 C ATOM 1064 SD MET A 71 18.008 5.515 -10.848 1.00 0.00 S ATOM 1065 CE MET A 71 18.125 6.157 -12.515 1.00 0.00 C ATOM 0 H MET A 71 18.729 6.944 -7.963 1.00 0.00 H new ATOM 0 HA MET A 71 19.327 8.049 -9.832 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.382 8.732 -9.966 1.00 0.00 H new ATOM 0 HB3 MET A 71 17.460 8.316 -11.284 1.00 0.00 H new ATOM 0 HG2 MET A 71 16.662 6.403 -9.077 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.844 6.516 -10.622 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.342 5.341 -13.205 1.00 0.00 H new ATOM 0 HE2 MET A 71 17.180 6.625 -12.792 1.00 0.00 H new ATOM 0 HE3 MET A 71 18.924 6.896 -12.565 1.00 0.00 H new ATOM 1075 N GLY A 72 17.714 10.655 -10.025 1.00 0.00 N ATOM 1076 CA GLY A 72 17.734 12.095 -10.022 1.00 0.00 C ATOM 1077 C GLY A 72 16.980 12.685 -8.846 1.00 0.00 C ATOM 1078 O GLY A 72 16.485 13.809 -8.919 1.00 0.00 O ATOM 0 H GLY A 72 17.012 10.239 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 72 18.767 12.440 -9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.297 12.463 -10.951 1.00 0.00 H new ATOM 1082 N GLY A 73 16.891 11.925 -7.758 1.00 0.00 N ATOM 1083 CA GLY A 73 16.191 12.397 -6.580 1.00 0.00 C ATOM 1084 C GLY A 73 14.832 11.743 -6.412 1.00 0.00 C ATOM 1085 O GLY A 73 13.850 12.413 -6.092 1.00 0.00 O ATOM 0 H GLY A 73 17.292 10.991 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.798 12.199 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.065 13.478 -6.644 1.00 0.00 H new ATOM 1089 N PHE A 74 14.776 10.435 -6.633 1.00 0.00 N ATOM 1090 CA PHE A 74 13.525 9.693 -6.509 1.00 0.00 C ATOM 1091 C PHE A 74 13.287 9.260 -5.067 1.00 0.00 C ATOM 1092 O PHE A 74 14.057 8.481 -4.508 1.00 0.00 O ATOM 1093 CB PHE A 74 13.542 8.472 -7.427 1.00 0.00 C ATOM 1094 CG PHE A 74 13.408 8.814 -8.883 1.00 0.00 C ATOM 1095 CD1 PHE A 74 14.228 9.768 -9.465 1.00 0.00 C ATOM 1096 CD2 PHE A 74 12.458 8.182 -9.670 1.00 0.00 C ATOM 1097 CE1 PHE A 74 14.103 10.084 -10.804 1.00 0.00 C ATOM 1098 CE2 PHE A 74 12.328 8.495 -11.010 1.00 0.00 C ATOM 1099 CZ PHE A 74 13.152 9.448 -11.578 1.00 0.00 C ATOM 0 H PHE A 74 15.580 9.866 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 74 12.709 10.352 -6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.473 7.926 -7.275 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.730 7.803 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 74 14.973 10.270 -8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.812 7.436 -9.231 1.00 0.00 H new ATOM 0 HE1 PHE A 74 14.749 10.828 -11.246 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.584 7.996 -11.612 1.00 0.00 H new ATOM 0 HZ PHE A 74 13.053 9.695 -12.625 1.00 0.00 H new ATOM 1109 N LYS A 75 12.221 9.780 -4.467 1.00 0.00 N ATOM 1110 CA LYS A 75 11.893 9.459 -3.083 1.00 0.00 C ATOM 1111 C LYS A 75 10.801 8.392 -2.979 1.00 0.00 C ATOM 1112 O LYS A 75 9.618 8.671 -3.175 1.00 0.00 O ATOM 1113 CB LYS A 75 11.454 10.726 -2.349 1.00 0.00 C ATOM 1114 CG LYS A 75 12.432 11.879 -2.500 1.00 0.00 C ATOM 1115 CD LYS A 75 11.827 13.017 -3.302 1.00 0.00 C ATOM 1116 CE LYS A 75 12.538 14.333 -3.026 1.00 0.00 C ATOM 1117 NZ LYS A 75 11.703 15.504 -3.409 1.00 0.00 N ATOM 0 H LYS A 75 11.571 10.424 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 75 12.791 9.052 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.478 11.035 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.331 10.500 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.724 12.242 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.339 11.527 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.887 12.786 -4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.770 13.115 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.788 14.396 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.478 14.361 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.222 16.382 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.485 15.458 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.817 15.492 -2.864 1.00 0.00 H new ATOM 1131 N VAL A 76 11.215 7.175 -2.641 1.00 0.00 N ATOM 1132 CA VAL A 76 10.297 6.047 -2.473 1.00 0.00 C ATOM 1133 C VAL A 76 9.874 5.950 -1.048 1.00 0.00 C ATOM 1134 O VAL A 76 9.373 4.917 -0.603 1.00 0.00 O ATOM 1135 CB VAL A 76 10.998 4.718 -2.823 1.00 0.00 C ATOM 1136 CG1 VAL A 76 11.219 4.624 -4.322 1.00 0.00 C ATOM 1137 CG2 VAL A 76 12.324 4.709 -2.070 1.00 0.00 C ATOM 0 H VAL A 76 12.194 6.940 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 76 9.444 6.214 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 76 10.391 3.860 -2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.714 3.682 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.258 4.667 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.843 5.455 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.859 3.784 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.928 5.560 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.135 4.776 -0.999 1.00 0.00 H new ATOM 1147 N GLU A 77 10.136 7.014 -0.325 1.00 0.00 N ATOM 1148 CA GLU A 77 9.848 7.027 1.098 1.00 0.00 C ATOM 1149 C GLU A 77 9.975 5.594 1.548 1.00 0.00 C ATOM 1150 O GLU A 77 9.153 5.077 2.299 1.00 0.00 O ATOM 1151 CB GLU A 77 8.443 7.566 1.388 1.00 0.00 C ATOM 1152 CG GLU A 77 7.681 8.020 0.156 1.00 0.00 C ATOM 1153 CD GLU A 77 7.119 9.422 0.302 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.912 9.861 1.452 1.00 0.00 O ATOM 1155 OE2 GLU A 77 6.884 10.078 -0.735 1.00 0.00 O ATOM 0 H GLU A 77 10.544 7.875 -0.690 1.00 0.00 H new ATOM 0 HA GLU A 77 10.534 7.685 1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.866 6.791 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.524 8.404 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.343 7.986 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.865 7.324 -0.039 1.00 0.00 H new ATOM 1162 N ASN A 78 10.999 4.952 0.980 1.00 0.00 N ATOM 1163 CA ASN A 78 11.256 3.543 1.182 1.00 0.00 C ATOM 1164 C ASN A 78 10.234 3.004 2.144 1.00 0.00 C ATOM 1165 O ASN A 78 10.522 2.689 3.299 1.00 0.00 O ATOM 1166 CB ASN A 78 12.664 3.258 1.660 1.00 0.00 C ATOM 1167 CG ASN A 78 12.936 1.790 1.514 1.00 0.00 C ATOM 1168 OD1 ASN A 78 12.808 1.234 0.423 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.305 1.147 2.597 1.00 0.00 N ATOM 0 H ASN A 78 11.672 5.408 0.364 1.00 0.00 H new ATOM 0 HA ASN A 78 11.170 3.039 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.384 3.835 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.778 3.561 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.398 1.648 3.481 1.00 0.00 H new ATOM 1174 N HIS A 79 9.018 2.984 1.651 1.00 0.00 N ATOM 1175 CA HIS A 79 7.871 2.582 2.423 1.00 0.00 C ATOM 1176 C HIS A 79 8.154 1.473 3.404 1.00 0.00 C ATOM 1177 O HIS A 79 8.555 0.366 3.053 1.00 0.00 O ATOM 1178 CB HIS A 79 6.721 2.207 1.508 1.00 0.00 C ATOM 1179 CG HIS A 79 6.270 3.376 0.727 1.00 0.00 C ATOM 1180 ND1 HIS A 79 5.207 3.375 -0.136 1.00 0.00 N ATOM 1181 CD2 HIS A 79 6.804 4.609 0.680 1.00 0.00 C ATOM 1182 CE1 HIS A 79 5.132 4.593 -0.688 1.00 0.00 C ATOM 1183 NE2 HIS A 79 6.081 5.386 -0.221 1.00 0.00 N ATOM 0 H HIS A 79 8.797 3.250 0.691 1.00 0.00 H new ATOM 0 HA HIS A 79 7.593 3.448 3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.033 1.411 0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.892 1.817 2.099 1.00 0.00 H new ATOM 0 HD1 HIS A 79 4.585 2.589 -0.324 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.658 4.943 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.393 4.888 -1.418 1.00 0.00 H new ATOM 1191 N THR A 80 7.912 1.801 4.646 1.00 0.00 N ATOM 1192 CA THR A 80 8.103 0.870 5.743 1.00 0.00 C ATOM 1193 C THR A 80 6.751 0.474 6.343 1.00 0.00 C ATOM 1194 O THR A 80 6.656 -0.469 7.128 1.00 0.00 O ATOM 1195 CB THR A 80 9.025 1.500 6.780 1.00 0.00 C ATOM 1196 OG1 THR A 80 8.307 2.376 7.633 1.00 0.00 O ATOM 1197 CG2 THR A 80 10.148 2.286 6.129 1.00 0.00 C ATOM 0 H THR A 80 7.576 2.721 4.933 1.00 0.00 H new ATOM 0 HA THR A 80 8.573 -0.044 5.380 1.00 0.00 H new ATOM 0 HB THR A 80 9.448 0.678 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.919 2.767 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.784 2.720 6.901 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.742 1.621 5.502 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.727 3.083 5.516 1.00 0.00 H new ATOM 1205 N ALA A 81 5.707 1.197 5.938 1.00 0.00 N ATOM 1206 CA ALA A 81 4.349 0.941 6.385 1.00 0.00 C ATOM 1207 C ALA A 81 3.388 1.753 5.530 1.00 0.00 C ATOM 1208 O ALA A 81 3.628 2.931 5.286 1.00 0.00 O ATOM 1209 CB ALA A 81 4.189 1.290 7.858 1.00 0.00 C ATOM 0 H ALA A 81 5.786 1.979 5.288 1.00 0.00 H new ATOM 0 HA ALA A 81 4.125 -0.120 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.164 1.090 8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.874 0.685 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.415 2.346 8.008 1.00 0.00 H new ATOM 1215 N CYS A 82 2.318 1.127 5.054 1.00 0.00 N ATOM 1216 CA CYS A 82 1.353 1.827 4.210 1.00 0.00 C ATOM 1217 C CYS A 82 -0.033 1.829 4.847 1.00 0.00 C ATOM 1218 O CYS A 82 -0.485 0.816 5.382 1.00 0.00 O ATOM 1219 CB CYS A 82 1.298 1.194 2.815 1.00 0.00 C ATOM 1220 SG CYS A 82 2.363 2.019 1.584 1.00 0.00 S ATOM 0 H CYS A 82 2.097 0.148 5.234 1.00 0.00 H new ATOM 0 HA CYS A 82 1.683 2.861 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.591 0.147 2.890 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.268 1.212 2.459 1.00 0.00 H new ATOM 1225 N HIS A 83 -0.701 2.977 4.785 1.00 0.00 N ATOM 1226 CA HIS A 83 -2.035 3.121 5.356 1.00 0.00 C ATOM 1227 C HIS A 83 -2.946 3.908 4.419 1.00 0.00 C ATOM 1228 O HIS A 83 -2.577 4.977 3.933 1.00 0.00 O ATOM 1229 CB HIS A 83 -1.960 3.822 6.714 1.00 0.00 C ATOM 1230 CG HIS A 83 -1.405 5.210 6.640 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -1.405 6.079 7.711 1.00 0.00 N ATOM 1232 CD2 HIS A 83 -0.833 5.883 5.612 1.00 0.00 C ATOM 1233 CE1 HIS A 83 -0.857 7.225 7.346 1.00 0.00 C ATOM 1234 NE2 HIS A 83 -0.502 7.130 6.077 1.00 0.00 N ATOM 0 H HIS A 83 -0.339 3.822 4.344 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.453 2.123 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.959 3.861 7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.342 3.228 7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.669 5.507 4.613 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.722 8.091 7.977 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.054 7.866 5.531 1.00 0.00 H new ATOM 1243 N CYS A 84 -4.136 3.373 4.172 1.00 0.00 N ATOM 1244 CA CYS A 84 -5.103 4.023 3.295 1.00 0.00 C ATOM 1245 C CYS A 84 -5.531 5.371 3.861 1.00 0.00 C ATOM 1246 O CYS A 84 -5.010 5.823 4.879 1.00 0.00 O ATOM 1247 CB CYS A 84 -6.327 3.127 3.102 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.607 2.618 1.375 1.00 0.00 S ATOM 0 H CYS A 84 -4.455 2.489 4.568 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.626 4.190 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.213 2.236 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.211 3.653 3.463 1.00 0.00 H new ATOM 1253 N SER A 85 -6.483 6.008 3.187 1.00 0.00 N ATOM 1254 CA SER A 85 -6.990 7.309 3.612 1.00 0.00 C ATOM 1255 C SER A 85 -6.018 8.424 3.243 1.00 0.00 C ATOM 1256 O SER A 85 -4.830 8.183 3.037 1.00 0.00 O ATOM 1257 CB SER A 85 -7.240 7.320 5.123 1.00 0.00 C ATOM 1258 OG SER A 85 -7.857 8.530 5.529 1.00 0.00 O ATOM 0 H SER A 85 -6.921 5.643 2.341 1.00 0.00 H new ATOM 0 HA SER A 85 -7.932 7.484 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.873 6.476 5.396 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.295 7.194 5.652 1.00 0.00 H new ATOM 0 HG SER A 85 -8.008 8.512 6.497 1.00 0.00 H new ATOM 1264 N THR A 86 -6.535 9.647 3.165 1.00 0.00 N ATOM 1265 CA THR A 86 -5.715 10.805 2.825 1.00 0.00 C ATOM 1266 C THR A 86 -5.165 10.693 1.408 1.00 0.00 C ATOM 1267 O THR A 86 -4.352 9.816 1.112 1.00 0.00 O ATOM 1268 CB THR A 86 -4.564 10.947 3.822 1.00 0.00 C ATOM 1269 OG1 THR A 86 -3.504 10.067 3.493 1.00 0.00 O ATOM 1270 CG2 THR A 86 -4.973 10.660 5.250 1.00 0.00 C ATOM 0 H THR A 86 -7.518 9.861 3.333 1.00 0.00 H new ATOM 0 HA THR A 86 -6.347 11.692 2.876 1.00 0.00 H new ATOM 0 HB THR A 86 -4.248 11.988 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.783 9.478 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.111 10.778 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.756 11.356 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.347 9.639 5.323 1.00 0.00 H new ATOM 1278 N CYS A 87 -5.610 11.590 0.534 1.00 0.00 N ATOM 1279 CA CYS A 87 -5.162 11.599 -0.853 1.00 0.00 C ATOM 1280 C CYS A 87 -4.824 13.016 -1.301 1.00 0.00 C ATOM 1281 O CYS A 87 -5.554 13.961 -1.003 1.00 0.00 O ATOM 1282 CB CYS A 87 -6.241 11.007 -1.761 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.592 9.969 -3.112 1.00 0.00 S ATOM 0 H CYS A 87 -6.282 12.322 0.763 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.262 10.989 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.923 10.411 -1.155 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.825 11.821 -2.191 1.00 0.00 H new ATOM 1288 N TYR A 88 -3.711 13.160 -2.014 1.00 0.00 N ATOM 1289 CA TYR A 88 -3.280 14.466 -2.494 1.00 0.00 C ATOM 1290 C TYR A 88 -3.377 15.500 -1.377 1.00 0.00 C ATOM 1291 O TYR A 88 -4.040 16.528 -1.523 1.00 0.00 O ATOM 1292 CB TYR A 88 -4.137 14.901 -3.686 1.00 0.00 C ATOM 1293 CG TYR A 88 -3.330 15.337 -4.889 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -2.904 16.653 -5.023 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -2.995 14.434 -5.891 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -2.167 17.057 -6.120 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -2.257 14.831 -6.991 1.00 0.00 C ATOM 1298 CZ TYR A 88 -1.846 16.143 -7.100 1.00 0.00 C ATOM 1299 OH TYR A 88 -1.113 16.543 -8.193 1.00 0.00 O ATOM 0 H TYR A 88 -3.094 12.390 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.241 14.392 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.787 14.075 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.784 15.722 -3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.153 17.372 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.316 13.406 -5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.844 18.084 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.004 14.117 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.971 15.778 -8.789 1.00 0.00 H new ATOM 1309 N TYR A 89 -2.719 15.214 -0.257 1.00 0.00 N ATOM 1310 CA TYR A 89 -2.738 16.112 0.892 1.00 0.00 C ATOM 1311 C TYR A 89 -1.325 16.485 1.329 1.00 0.00 C ATOM 1312 O TYR A 89 -0.559 15.635 1.780 1.00 0.00 O ATOM 1313 CB TYR A 89 -3.488 15.460 2.057 1.00 0.00 C ATOM 1314 CG TYR A 89 -2.630 14.541 2.899 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -1.956 13.467 2.329 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -2.496 14.747 4.267 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -1.172 12.626 3.098 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -1.715 13.910 5.042 1.00 0.00 C ATOM 1319 CZ TYR A 89 -1.056 12.852 4.454 1.00 0.00 C ATOM 1320 OH TYR A 89 -0.277 12.017 5.222 1.00 0.00 O ATOM 0 H TYR A 89 -2.166 14.367 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.253 17.025 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -3.900 16.242 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -4.331 14.893 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.046 13.286 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.011 15.575 4.732 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.654 11.797 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.622 14.084 6.104 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.301 12.314 6.155 1.00 0.00 H new ATOM 1330 N HIS A 90 -0.993 17.767 1.199 1.00 0.00 N ATOM 1331 CA HIS A 90 0.324 18.260 1.588 1.00 0.00 C ATOM 1332 C HIS A 90 0.201 19.518 2.441 1.00 0.00 C ATOM 1333 O HIS A 90 -0.902 19.961 2.759 1.00 0.00 O ATOM 1334 CB HIS A 90 1.175 18.550 0.351 1.00 0.00 C ATOM 1335 CG HIS A 90 0.451 19.319 -0.712 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -0.669 20.085 -0.460 1.00 0.00 N ATOM 1337 CD2 HIS A 90 0.694 19.439 -2.040 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -1.083 20.641 -1.584 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -0.274 20.265 -2.556 1.00 0.00 N ATOM 0 H HIS A 90 -1.618 18.482 0.827 1.00 0.00 H new ATOM 0 HA HIS A 90 0.813 17.485 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.060 19.110 0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.523 17.606 -0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.498 18.972 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.938 21.292 -1.690 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.355 20.543 -3.534 1.00 0.00 H new ATOM 1348 N LYS A 91 1.342 20.089 2.810 1.00 0.00 N ATOM 1349 CA LYS A 91 1.365 21.296 3.627 1.00 0.00 C ATOM 1350 C LYS A 91 2.796 21.786 3.821 1.00 0.00 C ATOM 1351 O LYS A 91 3.526 21.282 4.672 1.00 0.00 O ATOM 1352 CB LYS A 91 0.713 21.032 4.986 1.00 0.00 C ATOM 1353 CG LYS A 91 -0.428 21.983 5.308 1.00 0.00 C ATOM 1354 CD LYS A 91 -0.083 22.895 6.473 1.00 0.00 C ATOM 1355 CE LYS A 91 -1.250 23.798 6.842 1.00 0.00 C ATOM 1356 NZ LYS A 91 -1.291 24.085 8.304 1.00 0.00 N ATOM 0 H LYS A 91 2.264 19.735 2.556 1.00 0.00 H new ATOM 0 HA LYS A 91 0.799 22.070 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.339 20.008 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.471 21.111 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.659 22.585 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.324 21.410 5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.199 22.292 7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.782 23.505 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.172 24.735 6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.184 23.326 6.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.101 24.703 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.391 23.193 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.410 24.559 8.590 1.00 0.00 H new ATOM 1370 N SER A 92 3.190 22.771 3.021 1.00 0.00 N ATOM 1371 CA SER A 92 4.535 23.328 3.100 1.00 0.00 C ATOM 1372 C SER A 92 4.681 24.232 4.320 1.00 0.00 C ATOM 1373 O SER A 92 4.244 23.821 5.416 1.00 0.00 O ATOM 1374 CB SER A 92 4.857 24.114 1.828 1.00 0.00 C ATOM 1375 OG SER A 92 6.159 23.813 1.358 1.00 0.00 O ATOM 1376 OXT SER A 92 5.234 25.341 4.170 1.00 0.00 O ATOM 0 H SER A 92 2.597 23.200 2.311 1.00 0.00 H new ATOM 0 HA SER A 92 5.238 22.501 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.125 23.878 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.777 25.183 2.027 1.00 0.00 H new ATOM 0 HG SER A 92 6.340 24.327 0.543 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.453 -0.276 2.542 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.881 -0.666 2.864 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.023 -2.174 2.790 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.989 -2.839 3.682 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.592 -2.309 3.379 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.549 -2.832 4.345 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.678 0.848 2.349 1.00 0.00 C HETATM 1390 C8 NAG A 178 17.572 1.499 1.308 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.779 -0.033 1.920 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.326 -2.545 3.217 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.999 -4.260 3.454 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.551 -0.883 3.466 1.00 0.00 O HETATM 1395 O6 NAG A 178 11.899 -2.542 5.690 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.806 1.145 3.536 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.207 -2.890 6.290 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.420 -3.519 3.172 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.722 -0.263 0.928 1.00 0.00 H new HETATM 0 H83 NAG A 178 18.146 0.731 0.789 1.00 0.00 H new HETATM 0 H82 NAG A 178 16.958 2.041 0.589 1.00 0.00 H new HETATM 0 H81 NAG A 178 18.255 2.193 1.798 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.581 -2.386 4.115 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.442 -3.909 4.219 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.368 -2.652 2.369 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.240 -2.617 4.719 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.866 -2.498 1.761 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.134 -0.335 3.871 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.669 -5.038 4.548 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.295 -6.442 4.094 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.003 -7.312 5.307 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.168 -7.263 6.276 1.00 0.00 C HETATM 1414 C5 NAG A 179 14.527 -5.824 6.618 1.00 0.00 C HETATM 1415 C6 NAG A 179 15.766 -5.727 7.484 1.00 0.00 C HETATM 1416 C7 NAG A 179 10.969 -6.943 3.552 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.787 -6.676 2.635 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.127 -6.363 3.225 1.00 0.00 N HETATM 1419 O3 NAG A 179 12.802 -8.653 4.882 1.00 0.00 O HETATM 1420 O4 NAG A 179 13.813 -7.950 7.489 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.794 -5.062 5.429 1.00 0.00 O HETATM 1422 O6 NAG A 179 16.110 -4.373 7.738 1.00 0.00 O HETATM 1423 O7 NAG A 179 10.824 -7.667 4.533 1.00 0.00 O HETATM 0 HO6 NAG A 179 15.767 -3.807 7.015 1.00 0.00 H new HETATM 0 HO3 NAG A 179 11.842 -8.828 4.795 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.196 -5.852 2.345 1.00 0.00 H new HETATM 0 H83 NAG A 179 9.583 -5.606 2.607 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.020 -7.028 1.630 1.00 0.00 H new HETATM 0 H81 NAG A 179 8.909 -7.203 3.010 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.595 -6.245 8.428 1.00 0.00 H new HETATM 0 H61 NAG A 179 16.598 -6.230 6.991 1.00 0.00 H new HETATM 0 H5 NAG A 179 13.665 -5.430 7.157 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.026 -7.742 5.804 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.108 -6.941 5.807 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.121 -6.889 3.542 1.00 0.00 H new HETATM 1437 C1 BMA A 180 14.835 -8.664 8.088 1.00 0.00 C HETATM 1438 C2 BMA A 180 14.475 -8.956 9.537 1.00 0.00 C HETATM 1439 C3 BMA A 180 15.543 -9.822 10.179 1.00 0.00 C HETATM 1440 C4 BMA A 180 15.809 -11.056 9.335 1.00 0.00 C HETATM 1441 C5 BMA A 180 16.097 -10.670 7.892 1.00 0.00 C HETATM 1442 C6 BMA A 180 16.249 -11.879 6.989 1.00 0.00 C HETATM 1443 O2 BMA A 180 13.231 -9.639 9.577 1.00 0.00 O HETATM 1444 O3 BMA A 180 15.100 -10.230 11.482 1.00 0.00 O HETATM 1445 O4 BMA A 180 16.931 -11.747 9.865 1.00 0.00 O HETATM 1446 O5 BMA A 180 15.029 -9.875 7.347 1.00 0.00 O HETATM 1447 O6 BMA A 180 15.159 -12.805 7.188 1.00 0.00 O HETATM 0 HO4 BMA A 180 17.688 -11.663 9.248 1.00 0.00 H new HETATM 0 HO2 BMA A 180 13.175 -10.168 10.400 1.00 0.00 H new HETATM 0 H62 BMA A 180 16.276 -11.560 5.947 1.00 0.00 H new HETATM 0 H61 BMA A 180 17.197 -12.376 7.195 1.00 0.00 H new HETATM 0 H5 BMA A 180 17.032 -10.110 7.921 1.00 0.00 H new HETATM 0 H4 BMA A 180 14.925 -11.693 9.357 1.00 0.00 H new HETATM 0 H3 BMA A 180 16.463 -9.243 10.257 1.00 0.00 H new HETATM 0 H2 BMA A 180 14.405 -8.016 10.085 1.00 0.00 H new HETATM 1457 C1 MAN A 181 15.824 -9.680 12.541 1.00 0.00 C HETATM 1458 C2 MAN A 181 15.346 -10.315 13.840 1.00 0.00 C HETATM 1459 C3 MAN A 181 13.936 -9.855 14.190 1.00 0.00 C HETATM 1460 C4 MAN A 181 13.841 -8.338 14.155 1.00 0.00 C HETATM 1461 C5 MAN A 181 14.350 -7.805 12.824 1.00 0.00 C HETATM 1462 C6 MAN A 181 14.384 -6.289 12.781 1.00 0.00 C HETATM 1463 O2 MAN A 181 16.240 -9.931 14.896 1.00 0.00 O HETATM 1464 O3 MAN A 181 13.609 -10.310 15.494 1.00 0.00 O HETATM 1465 O4 MAN A 181 12.487 -7.950 14.328 1.00 0.00 O HETATM 1466 O5 MAN A 181 15.690 -8.261 12.574 1.00 0.00 O HETATM 1467 O6 MAN A 181 15.222 -5.762 13.800 1.00 0.00 O HETATM 0 HO6 MAN A 181 16.015 -6.329 13.897 1.00 0.00 H new HETATM 0 HO4 MAN A 181 12.449 -7.017 14.624 1.00 0.00 H new HETATM 0 HO3 MAN A 181 14.357 -10.828 15.857 1.00 0.00 H new HETATM 0 H62 MAN A 181 14.742 -5.959 11.806 1.00 0.00 H new HETATM 0 H61 MAN A 181 13.374 -5.897 12.899 1.00 0.00 H new HETATM 0 H5 MAN A 181 13.655 -8.177 12.071 1.00 0.00 H new HETATM 0 H4 MAN A 181 14.453 -7.927 14.957 1.00 0.00 H new HETATM 0 H3 MAN A 181 13.241 -10.267 13.458 1.00 0.00 H new HETATM 0 H2 MAN A 181 15.334 -11.398 13.717 1.00 0.00 H new HETATM 1478 C1 MAN A 182 15.578 -13.931 7.907 1.00 0.00 C HETATM 1479 C2 MAN A 182 14.830 -15.158 7.390 1.00 0.00 C HETATM 1480 C3 MAN A 182 13.358 -15.081 7.754 1.00 0.00 C HETATM 1481 C4 MAN A 182 13.202 -14.877 9.251 1.00 0.00 C HETATM 1482 C5 MAN A 182 13.987 -13.657 9.703 1.00 0.00 C HETATM 1483 C6 MAN A 182 13.975 -13.488 11.208 1.00 0.00 C HETATM 1484 O2 MAN A 182 15.384 -16.344 7.993 1.00 0.00 O HETATM 1485 O3 MAN A 182 12.721 -16.293 7.378 1.00 0.00 O HETATM 1486 O4 MAN A 182 11.829 -14.691 9.563 1.00 0.00 O HETATM 1487 O5 MAN A 182 15.370 -13.757 9.309 1.00 0.00 O HETATM 1488 O6 MAN A 182 12.663 -13.237 11.688 1.00 0.00 O HETATM 0 HO6 MAN A 182 12.685 -13.134 12.662 1.00 0.00 H new HETATM 0 HO4 MAN A 182 11.749 -14.173 10.391 1.00 0.00 H new HETATM 0 HO3 MAN A 182 13.353 -17.037 7.469 1.00 0.00 H new HETATM 0 H62 MAN A 182 14.372 -14.387 11.680 1.00 0.00 H new HETATM 0 H61 MAN A 182 14.631 -12.664 11.489 1.00 0.00 H new HETATM 0 H5 MAN A 182 13.500 -12.805 9.229 1.00 0.00 H new HETATM 0 H4 MAN A 182 13.585 -15.758 9.767 1.00 0.00 H new HETATM 0 H3 MAN A 182 12.902 -14.241 7.229 1.00 0.00 H new HETATM 0 H2 MAN A 182 14.934 -15.192 6.305 1.00 0.00 H new HETATM 1499 C1 NAG A 183 16.738 -16.595 7.808 1.00 0.00 C HETATM 1500 C2 NAG A 183 17.295 -17.212 9.089 1.00 0.00 C HETATM 1501 C3 NAG A 183 18.752 -17.593 8.901 1.00 0.00 C HETATM 1502 C4 NAG A 183 18.910 -18.479 7.681 1.00 0.00 C HETATM 1503 C5 NAG A 183 18.261 -17.829 6.464 1.00 0.00 C HETATM 1504 C6 NAG A 183 18.276 -18.727 5.242 1.00 0.00 C HETATM 1505 C7 NAG A 183 17.786 -15.070 10.083 1.00 0.00 C HETATM 1506 C8 NAG A 183 17.588 -14.098 11.236 1.00 0.00 C HETATM 1507 N2 NAG A 183 17.187 -16.253 10.172 1.00 0.00 N HETATM 1508 O3 NAG A 183 19.204 -18.293 10.051 1.00 0.00 O HETATM 1509 O4 NAG A 183 20.314 -18.675 7.429 1.00 0.00 O HETATM 1510 O5 NAG A 183 16.879 -17.514 6.724 1.00 0.00 O HETATM 1511 O6 NAG A 183 17.456 -18.202 4.207 1.00 0.00 O HETATM 1512 O7 NAG A 183 18.478 -14.744 9.119 1.00 0.00 O HETATM 0 HO6 NAG A 183 16.713 -17.699 4.602 1.00 0.00 H new HETATM 0 HO3 NAG A 183 20.144 -18.543 9.933 1.00 0.00 H new HETATM 0 HN2 NAG A 183 16.649 -16.488 11.006 1.00 0.00 H new HETATM 0 H83 NAG A 183 16.526 -13.877 11.347 1.00 0.00 H new HETATM 0 H82 NAG A 183 17.964 -14.544 12.157 1.00 0.00 H new HETATM 0 H81 NAG A 183 18.131 -13.175 11.031 1.00 0.00 H new HETATM 0 H62 NAG A 183 19.298 -18.835 4.880 1.00 0.00 H new HETATM 0 H61 NAG A 183 17.928 -19.723 5.515 1.00 0.00 H new HETATM 0 H5 NAG A 183 18.848 -16.931 6.270 1.00 0.00 H new HETATM 0 H4 NAG A 183 18.423 -19.436 7.865 1.00 0.00 H new HETATM 0 H3 NAG A 183 19.341 -16.687 8.760 1.00 0.00 H new HETATM 0 H2 NAG A 183 16.722 -18.108 9.327 1.00 0.00 H new HETATM 1526 C1 NAG A 184 17.015 -10.941 15.437 1.00 0.00 C HETATM 1527 C2 NAG A 184 17.915 -10.362 16.530 1.00 0.00 C HETATM 1528 C3 NAG A 184 18.712 -11.474 17.192 1.00 0.00 C HETATM 1529 C4 NAG A 184 17.784 -12.568 17.680 1.00 0.00 C HETATM 1530 C5 NAG A 184 16.855 -13.023 16.563 1.00 0.00 C HETATM 1531 C6 NAG A 184 15.809 -14.007 17.046 1.00 0.00 C HETATM 1532 C7 NAG A 184 19.613 -8.646 16.694 1.00 0.00 C HETATM 1533 C8 NAG A 184 20.497 -7.627 15.994 1.00 0.00 C HETATM 1534 N2 NAG A 184 18.822 -9.396 15.932 1.00 0.00 N HETATM 1535 O3 NAG A 184 19.431 -10.952 18.300 1.00 0.00 O HETATM 1536 O4 NAG A 184 18.570 -13.692 18.120 1.00 0.00 O HETATM 1537 O5 NAG A 184 16.139 -11.909 15.999 1.00 0.00 O HETATM 1538 O6 NAG A 184 14.935 -14.385 15.993 1.00 0.00 O HETATM 1539 O7 NAG A 184 19.646 -8.742 17.920 1.00 0.00 O HETATM 0 HO6 NAG A 184 14.902 -13.671 15.323 1.00 0.00 H new HETATM 0 HO3 NAG A 184 19.259 -9.990 18.378 1.00 0.00 H new HETATM 0 HN2 NAG A 184 18.852 -9.292 14.918 1.00 0.00 H new HETATM 0 H83 NAG A 184 21.165 -8.139 15.301 1.00 0.00 H new HETATM 0 H82 NAG A 184 19.874 -6.922 15.443 1.00 0.00 H new HETATM 0 H81 NAG A 184 21.087 -7.087 16.735 1.00 0.00 H new HETATM 0 H62 NAG A 184 16.299 -14.892 17.451 1.00 0.00 H new HETATM 0 H61 NAG A 184 15.234 -13.561 17.857 1.00 0.00 H new HETATM 0 H5 NAG A 184 17.501 -13.497 15.824 1.00 0.00 H new HETATM 0 H4 NAG A 184 17.184 -12.177 18.502 1.00 0.00 H new HETATM 0 H3 NAG A 184 19.405 -11.888 16.460 1.00 0.00 H new HETATM 0 H2 NAG A 184 17.301 -9.873 17.287 1.00 0.00 H new HETATM 1553 C1 GAL A 185 18.342 -14.127 19.413 1.00 0.00 C HETATM 1554 C2 GAL A 185 18.873 -13.097 20.401 1.00 0.00 C HETATM 1555 C3 GAL A 185 18.525 -13.499 21.824 1.00 0.00 C HETATM 1556 C4 GAL A 185 17.038 -13.783 21.949 1.00 0.00 C HETATM 1557 C5 GAL A 185 16.591 -14.782 20.890 1.00 0.00 C HETATM 1558 C6 GAL A 185 15.092 -15.001 20.901 1.00 0.00 C HETATM 1559 O2 GAL A 185 20.286 -13.017 20.272 1.00 0.00 O HETATM 1560 O3 GAL A 185 18.875 -12.442 22.707 1.00 0.00 O HETATM 1561 O4 GAL A 185 16.319 -12.571 21.776 1.00 0.00 O HETATM 1562 O5 GAL A 185 16.933 -14.322 19.570 1.00 0.00 O HETATM 1563 O6 GAL A 185 14.703 -15.960 19.927 1.00 0.00 O HETATM 0 HO6 GAL A 185 15.343 -15.950 19.185 1.00 0.00 H new HETATM 0 HO4 GAL A 185 16.093 -12.457 20.829 1.00 0.00 H new HETATM 0 HO3 GAL A 185 18.078 -11.910 22.913 1.00 0.00 H new HETATM 0 HO2 GAL A 185 20.516 -12.338 19.603 1.00 0.00 H new HETATM 0 H62 GAL A 185 14.779 -15.336 21.890 1.00 0.00 H new HETATM 0 H61 GAL A 185 14.583 -14.057 20.708 1.00 0.00 H new HETATM 0 H5 GAL A 185 17.104 -15.713 21.130 1.00 0.00 H new HETATM 0 H4 GAL A 185 16.842 -14.205 22.935 1.00 0.00 H new HETATM 0 H3 GAL A 185 19.079 -14.402 22.080 1.00 0.00 H new HETATM 0 H2 GAL A 185 18.418 -12.130 20.186 1.00 0.00 H new HETATM 1575 C1 GAL A 186 20.665 -19.857 6.800 1.00 0.00 C HETATM 1576 C2 GAL A 186 22.176 -20.033 6.848 1.00 0.00 C HETATM 1577 C3 GAL A 186 22.573 -21.378 6.267 1.00 0.00 C HETATM 1578 C4 GAL A 186 21.782 -22.497 6.922 1.00 0.00 C HETATM 1579 C5 GAL A 186 20.290 -22.203 6.864 1.00 0.00 C HETATM 1580 C6 GAL A 186 19.466 -23.240 7.601 1.00 0.00 C HETATM 1581 O2 GAL A 186 22.787 -18.998 6.091 1.00 0.00 O HETATM 1582 O3 GAL A 186 23.959 -21.592 6.493 1.00 0.00 O HETATM 1583 O4 GAL A 186 22.179 -22.611 8.281 1.00 0.00 O HETATM 1584 O5 GAL A 186 19.993 -20.932 7.467 1.00 0.00 O HETATM 1585 O6 GAL A 186 19.639 -24.531 7.039 1.00 0.00 O HETATM 0 HO6 GAL A 186 19.097 -25.179 7.536 1.00 0.00 H new HETATM 0 HO4 GAL A 186 21.604 -22.046 8.838 1.00 0.00 H new HETATM 0 HO3 GAL A 186 24.079 -22.123 7.308 1.00 0.00 H new HETATM 0 HO2 GAL A 186 22.264 -18.174 6.182 1.00 0.00 H new HETATM 0 H62 GAL A 186 19.755 -23.257 8.652 1.00 0.00 H new HETATM 0 H61 GAL A 186 18.412 -22.963 7.564 1.00 0.00 H new HETATM 0 H5 GAL A 186 20.032 -22.210 5.805 1.00 0.00 H new HETATM 0 H4 GAL A 186 21.979 -23.427 6.389 1.00 0.00 H new HETATM 0 H3 GAL A 186 22.361 -21.377 5.198 1.00 0.00 H new HETATM 0 H2 GAL A 186 22.506 -19.987 7.886 1.00 0.00 H new