USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -100:sc= 0.0235 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 13 GLN : amide:sc= -2.27! C(o=-2.3!,f=-2.3!) USER MOD Single : A 15 ASN : amide:sc= -14.3! C(o=-14!,f=-10!) USER MOD Single : A 19 SER OG : rot 56:sc= -2.28! 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) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 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 -10:sc= 0.444 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0478) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0505 X(o=-0.051,f=-0.31) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.461 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.541 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 7:sc= 0.0217 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.579 K(o=-0.58,f=-4.7!) USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.155 USER MOD Single : A 71 MET CE :methyl 153:sc= -0.584 (180deg=-2.03!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -22.6! C(o=-23!,f=-26!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A 83 HIS : no HD1:sc= -4.98! C(o=-5!,f=-3.8!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0718 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -173:sc= 0.0139 USER MOD Single : A 90 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.017) 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 : A1052 NAG O3 : rot 2:sc= -0.275! USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1052 NAG O6 : rot 31:sc= 0.00495 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot -31:sc= 0.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.274 8.187 17.678 1.00 0.00 N ATOM 2 CA ALA A 1 -2.598 7.160 16.844 1.00 0.00 C ATOM 3 C ALA A 1 -1.394 7.752 16.118 1.00 0.00 C ATOM 4 O ALA A 1 -1.410 8.917 15.720 1.00 0.00 O ATOM 5 CB ALA A 1 -3.579 6.567 15.844 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.981 8.077 18.670 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.010 9.135 17.342 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.305 8.069 17.607 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.241 6.367 17.501 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.072 5.816 15.239 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.408 6.103 16.379 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.961 7.357 15.197 1.00 0.00 H new ATOM 13 N PRO A 2 -0.328 6.956 15.943 1.00 0.00 N ATOM 14 CA PRO A 2 0.891 7.401 15.270 1.00 0.00 C ATOM 15 C PRO A 2 0.715 7.492 13.752 1.00 0.00 C ATOM 16 O PRO A 2 0.200 8.487 13.245 1.00 0.00 O ATOM 17 CB PRO A 2 1.936 6.334 15.648 1.00 0.00 C ATOM 18 CG PRO A 2 1.257 5.406 16.607 1.00 0.00 C ATOM 19 CD PRO A 2 -0.220 5.566 16.390 1.00 0.00 C ATOM 0 HA PRO A 2 1.181 8.406 15.576 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.281 5.797 14.765 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.813 6.793 16.105 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.564 4.375 16.431 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.525 5.648 17.635 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.598 4.869 15.642 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.786 5.389 17.305 1.00 0.00 H new ATOM 27 N ASP A 3 1.141 6.452 13.033 1.00 0.00 N ATOM 28 CA ASP A 3 1.027 6.424 11.576 1.00 0.00 C ATOM 29 C ASP A 3 1.044 7.835 10.995 1.00 0.00 C ATOM 30 O ASP A 3 0.304 8.140 10.059 1.00 0.00 O ATOM 31 CB ASP A 3 -0.254 5.702 11.154 1.00 0.00 C ATOM 32 CG ASP A 3 -0.012 4.689 10.052 1.00 0.00 C ATOM 33 OD1 ASP A 3 0.972 4.854 9.300 1.00 0.00 O ATOM 34 OD2 ASP A 3 -0.806 3.732 9.940 1.00 0.00 O ATOM 0 H ASP A 3 1.568 5.618 13.437 1.00 0.00 H new ATOM 0 HA ASP A 3 1.888 5.881 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.685 5.198 12.019 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.986 6.435 10.815 1.00 0.00 H new ATOM 39 N VAL A 4 1.891 8.694 11.557 1.00 0.00 N ATOM 40 CA VAL A 4 1.999 10.072 11.094 1.00 0.00 C ATOM 41 C VAL A 4 0.631 10.611 10.682 1.00 0.00 C ATOM 42 O VAL A 4 -0.388 10.239 11.263 1.00 0.00 O ATOM 43 CB VAL A 4 2.979 10.196 9.907 1.00 0.00 C ATOM 44 CG1 VAL A 4 3.642 11.565 9.901 1.00 0.00 C ATOM 45 CG2 VAL A 4 4.030 9.097 9.955 1.00 0.00 C ATOM 0 H VAL A 4 2.511 8.459 12.332 1.00 0.00 H new ATOM 0 HA VAL A 4 2.386 10.662 11.925 1.00 0.00 H new ATOM 0 HB VAL A 4 2.409 10.083 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.329 11.633 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.879 12.338 9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.194 11.706 10.830 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.709 9.205 9.109 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.594 9.173 10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.541 8.124 9.906 1.00 0.00 H new ATOM 55 N GLN A 5 0.610 11.484 9.679 1.00 0.00 N ATOM 56 CA GLN A 5 -0.641 12.063 9.200 1.00 0.00 C ATOM 57 C GLN A 5 -1.062 11.429 7.878 1.00 0.00 C ATOM 58 O GLN A 5 -0.409 10.510 7.382 1.00 0.00 O ATOM 59 CB GLN A 5 -0.495 13.577 9.030 1.00 0.00 C ATOM 60 CG GLN A 5 -1.809 14.333 9.147 1.00 0.00 C ATOM 61 CD GLN A 5 -2.224 14.988 7.844 1.00 0.00 C ATOM 62 OE1 GLN A 5 -3.299 14.713 7.312 1.00 0.00 O ATOM 63 NE2 GLN A 5 -1.370 15.861 7.322 1.00 0.00 N ATOM 0 H GLN A 5 1.442 11.805 9.184 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.414 11.861 9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.199 13.953 9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.052 13.784 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.592 13.646 9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.717 15.096 9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.489 16.059 7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.595 16.333 6.446 1.00 0.00 H new ATOM 72 N ASP A 6 -2.157 11.923 7.313 1.00 0.00 N ATOM 73 CA ASP A 6 -2.667 11.403 6.050 1.00 0.00 C ATOM 74 C ASP A 6 -1.617 11.519 4.950 1.00 0.00 C ATOM 75 O ASP A 6 -1.067 12.594 4.713 1.00 0.00 O ATOM 76 CB ASP A 6 -3.936 12.152 5.639 1.00 0.00 C ATOM 77 CG ASP A 6 -5.097 11.216 5.366 1.00 0.00 C ATOM 78 OD1 ASP A 6 -5.670 10.682 6.338 1.00 0.00 O ATOM 79 OD2 ASP A 6 -5.434 11.019 4.179 1.00 0.00 O ATOM 0 H ASP A 6 -2.709 12.683 7.710 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.906 10.349 6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.214 12.851 6.428 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.732 12.744 4.747 1.00 0.00 H new ATOM 84 N CYS A 7 -1.347 10.403 4.280 1.00 0.00 N ATOM 85 CA CYS A 7 -0.364 10.378 3.204 1.00 0.00 C ATOM 86 C CYS A 7 -0.993 9.891 1.902 1.00 0.00 C ATOM 87 O CYS A 7 -2.136 9.435 1.885 1.00 0.00 O ATOM 88 CB CYS A 7 0.811 9.475 3.584 1.00 0.00 C ATOM 89 SG CYS A 7 0.356 8.081 4.665 1.00 0.00 S ATOM 0 H CYS A 7 -1.795 9.505 4.463 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.001 11.395 3.052 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.263 9.082 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.571 10.076 4.084 1.00 0.00 H new ATOM 94 N PRO A 8 -0.246 9.987 0.792 1.00 0.00 N ATOM 95 CA PRO A 8 -0.721 9.561 -0.529 1.00 0.00 C ATOM 96 C PRO A 8 -1.105 8.085 -0.562 1.00 0.00 C ATOM 97 O PRO A 8 -0.824 7.337 0.375 1.00 0.00 O ATOM 98 CB PRO A 8 0.480 9.820 -1.448 1.00 0.00 C ATOM 99 CG PRO A 8 1.316 10.815 -0.720 1.00 0.00 C ATOM 100 CD PRO A 8 1.122 10.523 0.740 1.00 0.00 C ATOM 0 HA PRO A 8 -1.623 10.097 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.036 8.902 -1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.160 10.206 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.365 10.724 -1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.009 11.833 -0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.852 9.802 1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.227 11.421 1.348 1.00 0.00 H new ATOM 108 N GLU A 9 -1.749 7.676 -1.649 1.00 0.00 N ATOM 109 CA GLU A 9 -2.176 6.293 -1.815 1.00 0.00 C ATOM 110 C GLU A 9 -0.976 5.377 -2.037 1.00 0.00 C ATOM 111 O GLU A 9 -0.144 5.627 -2.908 1.00 0.00 O ATOM 112 CB GLU A 9 -3.147 6.179 -2.991 1.00 0.00 C ATOM 113 CG GLU A 9 -3.730 4.788 -3.165 1.00 0.00 C ATOM 114 CD GLU A 9 -4.083 4.482 -4.607 1.00 0.00 C ATOM 115 OE1 GLU A 9 -5.224 4.782 -5.015 1.00 0.00 O ATOM 116 OE2 GLU A 9 -3.218 3.942 -5.328 1.00 0.00 O ATOM 0 H GLU A 9 -1.987 8.286 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.683 5.980 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.961 6.890 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.630 6.464 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.013 4.050 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.623 4.692 -2.548 1.00 0.00 H new ATOM 123 N CYS A 10 -0.895 4.318 -1.239 1.00 0.00 N ATOM 124 CA CYS A 10 0.203 3.362 -1.343 1.00 0.00 C ATOM 125 C CYS A 10 0.208 2.682 -2.707 1.00 0.00 C ATOM 126 O CYS A 10 -0.831 2.232 -3.190 1.00 0.00 O ATOM 127 CB CYS A 10 0.096 2.305 -0.243 1.00 0.00 C ATOM 128 SG CYS A 10 1.564 2.190 0.830 1.00 0.00 S ATOM 0 H CYS A 10 -1.577 4.099 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 10 1.137 3.912 -1.224 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.775 2.527 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.079 1.333 -0.705 1.00 0.00 H new ATOM 133 N THR A 11 1.383 2.608 -3.323 1.00 0.00 N ATOM 134 CA THR A 11 1.515 1.978 -4.632 1.00 0.00 C ATOM 135 C THR A 11 2.941 1.537 -4.893 1.00 0.00 C ATOM 136 O THR A 11 3.291 0.362 -4.777 1.00 0.00 O ATOM 137 CB THR A 11 1.041 2.936 -5.731 1.00 0.00 C ATOM 138 OG1 THR A 11 2.083 3.215 -6.647 1.00 0.00 O ATOM 139 CG2 THR A 11 0.533 4.261 -5.199 1.00 0.00 C ATOM 0 H THR A 11 2.254 2.975 -2.939 1.00 0.00 H new ATOM 0 HA THR A 11 0.886 1.088 -4.642 1.00 0.00 H new ATOM 0 HB THR A 11 0.216 2.417 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.755 3.827 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.214 4.889 -6.031 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.311 4.086 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.330 4.763 -4.650 1.00 0.00 H new ATOM 147 N LEU A 12 3.740 2.500 -5.253 1.00 0.00 N ATOM 148 CA LEU A 12 5.150 2.290 -5.556 1.00 0.00 C ATOM 149 C LEU A 12 5.838 3.623 -5.784 1.00 0.00 C ATOM 150 O LEU A 12 5.441 4.394 -6.659 1.00 0.00 O ATOM 151 CB LEU A 12 5.314 1.425 -6.802 1.00 0.00 C ATOM 152 CG LEU A 12 5.517 -0.072 -6.562 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.288 -0.857 -6.994 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.739 -0.531 -7.325 1.00 0.00 C ATOM 0 H LEU A 12 3.439 3.470 -5.349 1.00 0.00 H new ATOM 0 HA LEU A 12 5.605 1.780 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.431 1.555 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.166 1.800 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 12 5.666 -0.251 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.453 -1.919 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.423 -0.523 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.106 -0.692 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.892 -1.598 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.594 -0.346 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.613 0.019 -6.977 1.00 0.00 H new ATOM 166 N GLN A 13 6.870 3.896 -5.004 1.00 0.00 N ATOM 167 CA GLN A 13 7.597 5.142 -5.145 1.00 0.00 C ATOM 168 C GLN A 13 8.986 4.894 -5.666 1.00 0.00 C ATOM 169 O GLN A 13 9.981 5.302 -5.070 1.00 0.00 O ATOM 170 CB GLN A 13 7.662 5.872 -3.832 1.00 0.00 C ATOM 171 CG GLN A 13 6.314 5.972 -3.148 1.00 0.00 C ATOM 172 CD GLN A 13 6.050 7.344 -2.562 1.00 0.00 C ATOM 173 OE1 GLN A 13 6.916 7.935 -1.917 1.00 0.00 O ATOM 174 NE2 GLN A 13 4.846 7.858 -2.785 1.00 0.00 N ATOM 0 H GLN A 13 7.220 3.276 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 13 7.061 5.763 -5.863 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.362 5.361 -3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.055 6.875 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.529 5.732 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.259 5.227 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.159 7.332 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.608 8.779 -2.416 1.00 0.00 H new ATOM 183 N GLU A 14 9.015 4.205 -6.779 1.00 0.00 N ATOM 184 CA GLU A 14 10.254 3.838 -7.453 1.00 0.00 C ATOM 185 C GLU A 14 11.457 4.435 -6.749 1.00 0.00 C ATOM 186 O GLU A 14 11.589 5.652 -6.610 1.00 0.00 O ATOM 187 CB GLU A 14 10.249 4.265 -8.915 1.00 0.00 C ATOM 188 CG GLU A 14 10.747 3.185 -9.869 1.00 0.00 C ATOM 189 CD GLU A 14 9.883 3.057 -11.109 1.00 0.00 C ATOM 190 OE1 GLU A 14 9.551 4.099 -11.713 1.00 0.00 O ATOM 191 OE2 GLU A 14 9.539 1.914 -11.478 1.00 0.00 O ATOM 0 H GLU A 14 8.175 3.875 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 14 10.324 2.751 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.235 4.549 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.872 5.152 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.771 3.412 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.771 2.228 -9.348 1.00 0.00 H new ATOM 198 N ASN A 15 12.309 3.553 -6.292 1.00 0.00 N ATOM 199 CA ASN A 15 13.509 3.921 -5.566 1.00 0.00 C ATOM 200 C ASN A 15 14.522 4.655 -6.427 1.00 0.00 C ATOM 201 O ASN A 15 15.115 4.077 -7.336 1.00 0.00 O ATOM 202 CB ASN A 15 14.153 2.676 -4.993 1.00 0.00 C ATOM 203 CG ASN A 15 14.158 2.667 -3.486 1.00 0.00 C ATOM 204 OD1 ASN A 15 13.793 3.649 -2.840 1.00 0.00 O ATOM 205 ND2 ASN A 15 14.577 1.550 -2.922 1.00 0.00 N ATOM 0 H ASN A 15 12.192 2.547 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 15 13.204 4.603 -4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.621 1.796 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.178 2.601 -5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.609 1.473 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.869 0.764 -3.503 1.00 0.00 H new ATOM 212 N PRO A 16 14.766 5.936 -6.120 1.00 0.00 N ATOM 213 CA PRO A 16 15.744 6.743 -6.829 1.00 0.00 C ATOM 214 C PRO A 16 17.127 6.545 -6.229 1.00 0.00 C ATOM 215 O PRO A 16 18.060 7.304 -6.491 1.00 0.00 O ATOM 216 CB PRO A 16 15.240 8.161 -6.591 1.00 0.00 C ATOM 217 CG PRO A 16 14.595 8.111 -5.243 1.00 0.00 C ATOM 218 CD PRO A 16 14.132 6.687 -5.024 1.00 0.00 C ATOM 0 HA PRO A 16 15.840 6.494 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 16 16.058 8.881 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.529 8.463 -7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.300 8.410 -4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.753 8.802 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.444 6.311 -4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.045 6.610 -5.063 1.00 0.00 H new ATOM 226 N PHE A 17 17.229 5.503 -5.414 1.00 0.00 N ATOM 227 CA PHE A 17 18.466 5.146 -4.739 1.00 0.00 C ATOM 228 C PHE A 17 19.147 3.996 -5.460 1.00 0.00 C ATOM 229 O PHE A 17 20.231 4.144 -6.026 1.00 0.00 O ATOM 230 CB PHE A 17 18.157 4.721 -3.306 1.00 0.00 C ATOM 231 CG PHE A 17 19.197 5.143 -2.320 1.00 0.00 C ATOM 232 CD1 PHE A 17 19.262 6.455 -1.892 1.00 0.00 C ATOM 233 CD2 PHE A 17 20.109 4.228 -1.825 1.00 0.00 C ATOM 234 CE1 PHE A 17 20.223 6.854 -0.984 1.00 0.00 C ATOM 235 CE2 PHE A 17 21.073 4.618 -0.916 1.00 0.00 C ATOM 236 CZ PHE A 17 21.131 5.934 -0.495 1.00 0.00 C ATOM 0 H PHE A 17 16.450 4.879 -5.203 1.00 0.00 H new ATOM 0 HA PHE A 17 19.129 6.011 -4.739 1.00 0.00 H new ATOM 0 HB2 PHE A 17 17.196 5.142 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 17 18.054 3.636 -3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 17 18.554 7.176 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 17 20.067 3.200 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 17 20.265 7.882 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.780 3.896 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 17 21.885 6.242 0.215 1.00 0.00 H new ATOM 246 N PHE A 18 18.482 2.850 -5.434 1.00 0.00 N ATOM 247 CA PHE A 18 18.981 1.647 -6.079 1.00 0.00 C ATOM 248 C PHE A 18 18.937 1.818 -7.589 1.00 0.00 C ATOM 249 O PHE A 18 19.638 1.129 -8.331 1.00 0.00 O ATOM 250 CB PHE A 18 18.129 0.452 -5.648 1.00 0.00 C ATOM 251 CG PHE A 18 18.531 -0.854 -6.269 1.00 0.00 C ATOM 252 CD1 PHE A 18 18.447 -1.042 -7.637 1.00 0.00 C ATOM 253 CD2 PHE A 18 18.988 -1.896 -5.480 1.00 0.00 C ATOM 254 CE1 PHE A 18 18.813 -2.246 -8.210 1.00 0.00 C ATOM 255 CE2 PHE A 18 19.356 -3.103 -6.045 1.00 0.00 C ATOM 256 CZ PHE A 18 19.269 -3.278 -7.413 1.00 0.00 C ATOM 0 H PHE A 18 17.584 2.729 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 18 20.015 1.470 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.182 0.356 -4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.088 0.654 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 18 18.091 -0.239 -8.265 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.058 -1.764 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.742 -2.379 -9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.711 -3.908 -5.418 1.00 0.00 H new ATOM 0 HZ PHE A 18 19.557 -4.219 -7.858 1.00 0.00 H new ATOM 266 N SER A 19 18.101 2.752 -8.027 1.00 0.00 N ATOM 267 CA SER A 19 17.935 3.048 -9.439 1.00 0.00 C ATOM 268 C SER A 19 19.217 2.770 -10.217 1.00 0.00 C ATOM 269 O SER A 19 20.237 3.427 -10.016 1.00 0.00 O ATOM 270 CB SER A 19 17.524 4.510 -9.628 1.00 0.00 C ATOM 271 OG SER A 19 16.177 4.720 -9.246 1.00 0.00 O ATOM 0 H SER A 19 17.521 3.323 -7.412 1.00 0.00 H new ATOM 0 HA SER A 19 17.151 2.398 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.176 5.153 -9.036 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.657 4.795 -10.672 1.00 0.00 H new ATOM 0 HG SER A 19 16.049 4.422 -8.321 1.00 0.00 H new ATOM 277 N GLN A 20 19.143 1.797 -11.110 1.00 0.00 N ATOM 278 CA GLN A 20 20.277 1.417 -11.941 1.00 0.00 C ATOM 279 C GLN A 20 19.873 1.429 -13.410 1.00 0.00 C ATOM 280 O GLN A 20 18.686 1.477 -13.728 1.00 0.00 O ATOM 281 CB GLN A 20 20.780 0.027 -11.545 1.00 0.00 C ATOM 282 CG GLN A 20 21.429 -0.017 -10.171 1.00 0.00 C ATOM 283 CD GLN A 20 22.926 -0.244 -10.242 1.00 0.00 C ATOM 284 OE1 GLN A 20 23.703 0.701 -10.379 1.00 0.00 O ATOM 285 NE2 GLN A 20 23.340 -1.503 -10.151 1.00 0.00 N ATOM 0 H GLN A 20 18.300 1.249 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 20 21.082 2.137 -11.789 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.944 -0.672 -11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.500 -0.315 -12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.231 0.919 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.972 -0.812 -9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.661 -2.256 -10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 20 24.336 -1.717 -10.194 1.00 0.00 H new ATOM 294 N PRO A 21 20.849 1.385 -14.329 1.00 0.00 N ATOM 295 CA PRO A 21 20.572 1.390 -15.766 1.00 0.00 C ATOM 296 C PRO A 21 19.443 0.434 -16.138 1.00 0.00 C ATOM 297 O PRO A 21 19.686 -0.684 -16.593 1.00 0.00 O ATOM 298 CB PRO A 21 21.896 0.927 -16.372 1.00 0.00 C ATOM 299 CG PRO A 21 22.930 1.395 -15.407 1.00 0.00 C ATOM 300 CD PRO A 21 22.295 1.324 -14.042 1.00 0.00 C ATOM 0 HA PRO A 21 20.242 2.366 -16.123 1.00 0.00 H new ATOM 0 HB2 PRO A 21 21.922 -0.156 -16.488 1.00 0.00 H new ATOM 0 HB3 PRO A 21 22.052 1.357 -17.361 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.820 0.767 -15.455 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.245 2.413 -15.637 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.562 0.404 -13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.613 2.152 -13.408 1.00 0.00 H new ATOM 308 N GLY A 22 18.206 0.882 -15.937 1.00 0.00 N ATOM 309 CA GLY A 22 17.056 0.056 -16.252 1.00 0.00 C ATOM 310 C GLY A 22 16.421 -0.557 -15.016 1.00 0.00 C ATOM 311 O GLY A 22 15.951 -1.694 -15.053 1.00 0.00 O ATOM 0 H GLY A 22 17.981 1.803 -15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.314 0.658 -16.777 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.360 -0.740 -16.932 1.00 0.00 H new ATOM 315 N ALA A 23 16.410 0.195 -13.916 1.00 0.00 N ATOM 316 CA ALA A 23 15.832 -0.291 -12.665 1.00 0.00 C ATOM 317 C ALA A 23 15.942 0.745 -11.570 1.00 0.00 C ATOM 318 O ALA A 23 16.987 0.922 -10.953 1.00 0.00 O ATOM 319 CB ALA A 23 16.497 -1.590 -12.255 1.00 0.00 C ATOM 0 H ALA A 23 16.793 1.139 -13.866 1.00 0.00 H new ATOM 0 HA ALA A 23 14.771 -0.479 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.059 -1.944 -11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.346 -2.338 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.565 -1.424 -12.115 1.00 0.00 H new ATOM 325 N PRO A 24 14.838 1.452 -11.352 1.00 0.00 N ATOM 326 CA PRO A 24 14.714 2.515 -10.378 1.00 0.00 C ATOM 327 C PRO A 24 13.984 2.084 -9.110 1.00 0.00 C ATOM 328 O PRO A 24 13.261 2.868 -8.500 1.00 0.00 O ATOM 329 CB PRO A 24 13.890 3.517 -11.179 1.00 0.00 C ATOM 330 CG PRO A 24 13.046 2.690 -12.113 1.00 0.00 C ATOM 331 CD PRO A 24 13.586 1.290 -12.081 1.00 0.00 C ATOM 0 HA PRO A 24 15.669 2.883 -10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.268 4.126 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.534 4.200 -11.733 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.001 2.706 -11.803 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.084 3.094 -13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 24 12.907 0.604 -11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 24 13.748 0.895 -13.084 1.00 0.00 H new ATOM 339 N ILE A 25 14.209 0.835 -8.725 1.00 0.00 N ATOM 340 CA ILE A 25 13.617 0.237 -7.536 1.00 0.00 C ATOM 341 C ILE A 25 12.353 0.931 -7.066 1.00 0.00 C ATOM 342 O ILE A 25 11.826 1.802 -7.748 1.00 0.00 O ATOM 343 CB ILE A 25 14.659 0.131 -6.417 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.705 -0.844 -6.880 1.00 0.00 C ATOM 345 CG2 ILE A 25 14.027 -0.384 -5.141 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.067 -2.104 -7.407 1.00 0.00 C ATOM 0 H ILE A 25 14.818 0.198 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 25 13.299 -0.767 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 25 15.087 1.112 -6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.315 -0.387 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.373 -1.087 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.785 -0.451 -4.361 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.239 0.299 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.601 -1.371 -5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.843 -2.795 -7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.477 -2.571 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.419 -1.859 -8.248 1.00 0.00 H new ATOM 358 N LEU A 26 11.807 0.469 -5.942 1.00 0.00 N ATOM 359 CA LEU A 26 10.544 0.983 -5.452 1.00 0.00 C ATOM 360 C LEU A 26 10.363 0.842 -3.966 1.00 0.00 C ATOM 361 O LEU A 26 11.306 0.661 -3.203 1.00 0.00 O ATOM 362 CB LEU A 26 9.470 0.181 -6.138 1.00 0.00 C ATOM 363 CG LEU A 26 10.040 -0.676 -7.249 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.207 -1.916 -7.479 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.173 0.118 -8.536 1.00 0.00 C ATOM 0 H LEU A 26 12.223 -0.258 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 26 10.503 2.051 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.967 -0.454 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.717 0.855 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 26 11.034 -0.994 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.647 -2.506 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.180 -2.511 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.193 -1.627 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.585 -0.521 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.192 0.480 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.838 0.966 -8.373 1.00 0.00 H new ATOM 377 N GLN A 27 9.106 0.923 -3.587 1.00 0.00 N ATOM 378 CA GLN A 27 8.714 0.798 -2.188 1.00 0.00 C ATOM 379 C GLN A 27 7.298 1.320 -1.937 1.00 0.00 C ATOM 380 O GLN A 27 7.105 2.259 -1.166 1.00 0.00 O ATOM 381 CB GLN A 27 9.714 1.540 -1.303 1.00 0.00 C ATOM 382 CG GLN A 27 9.232 1.747 0.123 1.00 0.00 C ATOM 383 CD GLN A 27 10.266 1.333 1.151 1.00 0.00 C ATOM 384 OE1 GLN A 27 10.379 0.157 1.497 1.00 0.00 O ATOM 385 NE2 GLN A 27 11.027 2.303 1.646 1.00 0.00 N ATOM 0 H GLN A 27 8.328 1.076 -4.229 1.00 0.00 H new ATOM 0 HA GLN A 27 8.717 -0.263 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.651 0.983 -1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.930 2.511 -1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.980 2.797 0.269 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.318 1.175 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.898 3.264 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.740 2.087 2.342 1.00 0.00 H new ATOM 394 N CYS A 28 6.312 0.691 -2.582 1.00 0.00 N ATOM 395 CA CYS A 28 4.903 1.071 -2.422 1.00 0.00 C ATOM 396 C CYS A 28 4.698 1.891 -1.152 1.00 0.00 C ATOM 397 O CYS A 28 4.376 1.348 -0.095 1.00 0.00 O ATOM 398 CB CYS A 28 4.017 -0.183 -2.381 1.00 0.00 C ATOM 399 SG CYS A 28 2.224 0.147 -2.336 1.00 0.00 S ATOM 0 H CYS A 28 6.463 -0.088 -3.223 1.00 0.00 H new ATOM 0 HA CYS A 28 4.620 1.684 -3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.237 -0.795 -3.256 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.286 -0.772 -1.504 1.00 0.00 H new ATOM 404 N MET A 29 4.892 3.202 -1.263 1.00 0.00 N ATOM 405 CA MET A 29 4.733 4.096 -0.123 1.00 0.00 C ATOM 406 C MET A 29 3.394 4.817 -0.183 1.00 0.00 C ATOM 407 O MET A 29 2.863 5.078 -1.262 1.00 0.00 O ATOM 408 CB MET A 29 5.871 5.117 -0.079 1.00 0.00 C ATOM 409 CG MET A 29 6.125 5.684 1.309 1.00 0.00 C ATOM 410 SD MET A 29 7.629 5.035 2.063 1.00 0.00 S ATOM 411 CE MET A 29 7.169 5.044 3.794 1.00 0.00 C ATOM 0 H MET A 29 5.159 3.667 -2.130 1.00 0.00 H new ATOM 0 HA MET A 29 4.764 3.492 0.784 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.784 4.647 -0.443 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.640 5.936 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.195 6.770 1.246 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.274 5.456 1.951 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.999 4.668 4.393 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.931 6.062 4.102 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.297 4.407 3.942 1.00 0.00 H new ATOM 421 N GLY A 30 2.853 5.135 0.985 1.00 0.00 N ATOM 422 CA GLY A 30 1.579 5.820 1.051 1.00 0.00 C ATOM 423 C GLY A 30 0.808 5.470 2.306 1.00 0.00 C ATOM 424 O GLY A 30 1.235 5.792 3.415 1.00 0.00 O ATOM 0 H GLY A 30 3.276 4.930 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.745 6.897 1.016 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.983 5.561 0.176 1.00 0.00 H new ATOM 428 N CYS A 31 -0.327 4.802 2.133 1.00 0.00 N ATOM 429 CA CYS A 31 -1.162 4.399 3.259 1.00 0.00 C ATOM 430 C CYS A 31 -2.583 4.101 2.797 1.00 0.00 C ATOM 431 O CYS A 31 -3.125 4.797 1.938 1.00 0.00 O ATOM 432 CB CYS A 31 -1.178 5.486 4.335 1.00 0.00 C ATOM 433 SG CYS A 31 -1.177 7.186 3.680 1.00 0.00 S ATOM 0 H CYS A 31 -0.691 4.527 1.221 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.737 3.491 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.061 5.350 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.308 5.356 4.979 1.00 0.00 H new ATOM 438 N CYS A 32 -3.179 3.060 3.368 1.00 0.00 N ATOM 439 CA CYS A 32 -4.537 2.669 3.008 1.00 0.00 C ATOM 440 C CYS A 32 -5.559 3.312 3.937 1.00 0.00 C ATOM 441 O CYS A 32 -5.615 3.003 5.126 1.00 0.00 O ATOM 442 CB CYS A 32 -4.686 1.148 3.055 1.00 0.00 C ATOM 443 SG CYS A 32 -5.419 0.426 1.551 1.00 0.00 S ATOM 0 H CYS A 32 -2.745 2.473 4.080 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.724 3.018 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.705 0.702 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.304 0.880 3.912 1.00 0.00 H new ATOM 448 N PHE A 33 -6.370 4.204 3.379 1.00 0.00 N ATOM 449 CA PHE A 33 -7.404 4.893 4.146 1.00 0.00 C ATOM 450 C PHE A 33 -7.917 4.014 5.284 1.00 0.00 C ATOM 451 O PHE A 33 -8.009 2.794 5.147 1.00 0.00 O ATOM 452 CB PHE A 33 -8.565 5.290 3.228 1.00 0.00 C ATOM 453 CG PHE A 33 -8.252 5.139 1.765 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.154 3.881 1.192 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.049 6.253 0.968 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.858 3.738 -0.150 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.754 6.117 -0.376 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.657 4.857 -0.935 1.00 0.00 C ATOM 0 H PHE A 33 -6.332 4.468 2.395 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.964 5.792 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.435 4.679 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.838 6.326 3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.311 3.003 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.122 7.240 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.784 2.752 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.600 6.994 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 33 -7.424 4.747 -1.984 1.00 0.00 H new ATOM 468 N SER A 34 -8.248 4.642 6.408 1.00 0.00 N ATOM 469 CA SER A 34 -8.751 3.917 7.571 1.00 0.00 C ATOM 470 C SER A 34 -10.022 4.564 8.110 1.00 0.00 C ATOM 471 O SER A 34 -10.560 4.142 9.133 1.00 0.00 O ATOM 472 CB SER A 34 -7.687 3.872 8.669 1.00 0.00 C ATOM 473 OG SER A 34 -6.960 2.657 8.630 1.00 0.00 O ATOM 0 H SER A 34 -8.177 5.651 6.539 1.00 0.00 H new ATOM 0 HA SER A 34 -8.987 2.900 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.003 4.712 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.162 3.983 9.644 1.00 0.00 H new ATOM 0 HG SER A 34 -6.286 2.656 9.341 1.00 0.00 H new ATOM 479 N ARG A 35 -10.495 5.595 7.419 1.00 0.00 N ATOM 480 CA ARG A 35 -11.698 6.304 7.835 1.00 0.00 C ATOM 481 C ARG A 35 -12.944 5.702 7.193 1.00 0.00 C ATOM 482 O ARG A 35 -13.012 5.545 5.974 1.00 0.00 O ATOM 483 CB ARG A 35 -11.588 7.784 7.468 1.00 0.00 C ATOM 484 CG ARG A 35 -10.551 8.535 8.285 1.00 0.00 C ATOM 485 CD ARG A 35 -9.153 8.353 7.715 1.00 0.00 C ATOM 486 NE ARG A 35 -8.118 8.741 8.670 1.00 0.00 N ATOM 487 CZ ARG A 35 -7.861 8.075 9.791 1.00 0.00 C ATOM 488 NH1 ARG A 35 -8.551 6.983 10.091 1.00 0.00 N ATOM 489 NH2 ARG A 35 -6.912 8.501 10.613 1.00 0.00 N ATOM 0 H ARG A 35 -10.064 5.958 6.569 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.790 6.205 8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.338 7.870 6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.560 8.258 7.606 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.801 9.596 8.306 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.573 8.182 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.011 7.311 7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.051 8.949 6.808 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.561 9.570 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.281 6.652 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.351 6.474 10.952 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.379 9.340 10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.715 7.990 11.473 1.00 0.00 H new ATOM 503 N ALA A 36 -13.931 5.374 8.021 1.00 0.00 N ATOM 504 CA ALA A 36 -15.179 4.798 7.532 1.00 0.00 C ATOM 505 C ALA A 36 -16.096 5.889 6.991 1.00 0.00 C ATOM 506 O ALA A 36 -16.688 6.654 7.753 1.00 0.00 O ATOM 507 CB ALA A 36 -15.870 4.015 8.638 1.00 0.00 C ATOM 0 H ALA A 36 -13.891 5.497 9.033 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.948 4.112 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.800 3.591 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.217 3.211 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.089 4.681 9.473 1.00 0.00 H new ATOM 513 N TYR A 37 -16.196 5.966 5.668 1.00 0.00 N ATOM 514 CA TYR A 37 -17.024 6.974 5.017 1.00 0.00 C ATOM 515 C TYR A 37 -18.512 6.663 5.153 1.00 0.00 C ATOM 516 O TYR A 37 -18.986 5.623 4.695 1.00 0.00 O ATOM 517 CB TYR A 37 -16.655 7.082 3.537 1.00 0.00 C ATOM 518 CG TYR A 37 -17.448 8.132 2.792 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.490 9.445 3.242 1.00 0.00 C ATOM 520 CD2 TYR A 37 -18.154 7.809 1.639 1.00 0.00 C ATOM 521 CE1 TYR A 37 -18.213 10.408 2.564 1.00 0.00 C ATOM 522 CE2 TYR A 37 -18.879 8.767 0.956 1.00 0.00 C ATOM 523 CZ TYR A 37 -18.905 10.065 1.423 1.00 0.00 C ATOM 524 OH TYR A 37 -19.626 11.023 0.747 1.00 0.00 O ATOM 0 H TYR A 37 -15.712 5.340 5.024 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.833 7.924 5.515 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.593 7.312 3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.811 6.114 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.949 9.718 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.136 6.794 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.236 11.425 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.422 8.501 0.061 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.054 10.618 -0.036 1.00 0.00 H new ATOM 534 N PRO A 38 -19.270 7.579 5.776 1.00 0.00 N ATOM 535 CA PRO A 38 -20.711 7.425 5.960 1.00 0.00 C ATOM 536 C PRO A 38 -21.481 7.825 4.706 1.00 0.00 C ATOM 537 O PRO A 38 -21.260 8.902 4.153 1.00 0.00 O ATOM 538 CB PRO A 38 -21.009 8.391 7.103 1.00 0.00 C ATOM 539 CG PRO A 38 -20.006 9.482 6.941 1.00 0.00 C ATOM 540 CD PRO A 38 -18.776 8.850 6.335 1.00 0.00 C ATOM 0 HA PRO A 38 -21.005 6.396 6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -22.027 8.776 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -20.910 7.902 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -20.393 10.272 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -19.773 9.940 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -18.340 9.484 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.002 8.683 7.084 1.00 0.00 H new ATOM 548 N THR A 39 -22.374 6.953 4.249 1.00 0.00 N ATOM 549 CA THR A 39 -23.156 7.231 3.048 1.00 0.00 C ATOM 550 C THR A 39 -22.249 7.229 1.820 1.00 0.00 C ATOM 551 O THR A 39 -21.499 8.176 1.588 1.00 0.00 O ATOM 552 CB THR A 39 -23.878 8.578 3.186 1.00 0.00 C ATOM 553 OG1 THR A 39 -25.135 8.407 3.817 1.00 0.00 O ATOM 554 CG2 THR A 39 -24.126 9.284 1.867 1.00 0.00 C ATOM 0 H THR A 39 -22.574 6.054 4.688 1.00 0.00 H new ATOM 0 HA THR A 39 -23.906 6.450 2.925 1.00 0.00 H new ATOM 0 HB THR A 39 -23.206 9.195 3.782 1.00 0.00 H new ATOM 0 HG1 THR A 39 -25.581 9.276 3.899 1.00 0.00 H new ATOM 0 HG21 THR A 39 -24.640 10.228 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.174 9.479 1.374 1.00 0.00 H new ATOM 0 HG23 THR A 39 -24.743 8.653 1.227 1.00 0.00 H new ATOM 562 N PRO A 40 -22.300 6.148 1.026 1.00 0.00 N ATOM 563 CA PRO A 40 -21.476 6.002 -0.175 1.00 0.00 C ATOM 564 C PRO A 40 -22.076 6.690 -1.397 1.00 0.00 C ATOM 565 O PRO A 40 -23.002 7.492 -1.282 1.00 0.00 O ATOM 566 CB PRO A 40 -21.457 4.489 -0.374 1.00 0.00 C ATOM 567 CG PRO A 40 -22.790 4.040 0.119 1.00 0.00 C ATOM 568 CD PRO A 40 -23.159 4.969 1.249 1.00 0.00 C ATOM 0 HA PRO A 40 -20.494 6.460 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -21.311 4.227 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -20.647 4.023 0.187 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -23.533 4.082 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.749 3.006 0.463 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -24.216 5.233 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -22.969 4.513 2.221 1.00 0.00 H new ATOM 576 N LEU A 41 -21.538 6.361 -2.568 1.00 0.00 N ATOM 577 CA LEU A 41 -22.011 6.934 -3.824 1.00 0.00 C ATOM 578 C LEU A 41 -22.970 5.973 -4.523 1.00 0.00 C ATOM 579 O LEU A 41 -23.659 5.188 -3.871 1.00 0.00 O ATOM 580 CB LEU A 41 -20.824 7.250 -4.738 1.00 0.00 C ATOM 581 CG LEU A 41 -20.865 8.625 -5.410 1.00 0.00 C ATOM 582 CD1 LEU A 41 -19.935 9.597 -4.698 1.00 0.00 C ATOM 583 CD2 LEU A 41 -20.492 8.507 -6.880 1.00 0.00 C ATOM 0 H LEU A 41 -20.771 5.697 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.545 7.858 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -19.907 7.176 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.770 6.486 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 41 -21.881 9.013 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.978 10.569 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.246 9.703 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.914 9.217 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -20.526 9.493 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.485 8.099 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -21.197 7.845 -7.382 1.00 0.00 H new ATOM 595 N ARG A 42 -23.008 6.034 -5.851 1.00 0.00 N ATOM 596 CA ARG A 42 -23.883 5.161 -6.627 1.00 0.00 C ATOM 597 C ARG A 42 -23.698 3.705 -6.213 1.00 0.00 C ATOM 598 O ARG A 42 -22.661 3.100 -6.488 1.00 0.00 O ATOM 599 CB ARG A 42 -23.601 5.316 -8.122 1.00 0.00 C ATOM 600 CG ARG A 42 -24.858 5.392 -8.973 1.00 0.00 C ATOM 601 CD ARG A 42 -25.028 6.771 -9.589 1.00 0.00 C ATOM 602 NE ARG A 42 -26.429 7.176 -9.642 1.00 0.00 N ATOM 603 CZ ARG A 42 -26.825 8.441 -9.740 1.00 0.00 C ATOM 604 NH1 ARG A 42 -25.928 9.416 -9.792 1.00 0.00 N ATOM 605 NH2 ARG A 42 -28.119 8.730 -9.794 1.00 0.00 N ATOM 0 H ARG A 42 -22.446 6.676 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 42 -24.915 5.452 -6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -23.010 6.218 -8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -22.995 4.475 -8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -24.810 4.642 -9.763 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -25.728 5.155 -8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -24.461 7.500 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -24.612 6.772 -10.596 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.143 6.449 -9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -24.933 9.196 -9.757 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -26.233 10.386 -9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -28.811 7.981 -9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -28.422 9.701 -9.869 1.00 0.00 H new ATOM 619 N SER A 43 -24.707 3.147 -5.550 1.00 0.00 N ATOM 620 CA SER A 43 -24.647 1.760 -5.100 1.00 0.00 C ATOM 621 C SER A 43 -25.993 1.305 -4.542 1.00 0.00 C ATOM 622 O SER A 43 -26.920 2.102 -4.396 1.00 0.00 O ATOM 623 CB SER A 43 -23.563 1.596 -4.033 1.00 0.00 C ATOM 624 OG SER A 43 -22.277 1.856 -4.568 1.00 0.00 O ATOM 0 H SER A 43 -25.573 3.632 -5.313 1.00 0.00 H new ATOM 0 HA SER A 43 -24.402 1.138 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 43 -23.759 2.275 -3.203 1.00 0.00 H new ATOM 0 HB3 SER A 43 -23.595 0.584 -3.630 1.00 0.00 H new ATOM 0 HG SER A 43 -22.337 1.930 -5.543 1.00 0.00 H new ATOM 630 N LYS A 44 -26.087 0.017 -4.227 1.00 0.00 N ATOM 631 CA LYS A 44 -27.313 -0.550 -3.678 1.00 0.00 C ATOM 632 C LYS A 44 -27.047 -1.195 -2.323 1.00 0.00 C ATOM 633 O LYS A 44 -25.988 -0.991 -1.729 1.00 0.00 O ATOM 634 CB LYS A 44 -27.902 -1.583 -4.640 1.00 0.00 C ATOM 635 CG LYS A 44 -29.320 -1.260 -5.081 1.00 0.00 C ATOM 636 CD LYS A 44 -30.074 -2.513 -5.495 1.00 0.00 C ATOM 637 CE LYS A 44 -30.869 -2.288 -6.771 1.00 0.00 C ATOM 638 NZ LYS A 44 -32.327 -2.153 -6.500 1.00 0.00 N ATOM 0 H LYS A 44 -25.328 -0.654 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 44 -28.031 0.259 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -27.263 -1.654 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.893 -2.562 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -29.852 -0.766 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.292 -0.559 -5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -29.369 -3.331 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -30.748 -2.815 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -30.508 -1.389 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -30.702 -3.121 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -32.834 -2.001 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -32.678 -3.021 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -32.489 -1.343 -5.868 1.00 0.00 H new ATOM 652 N LYS A 45 -28.013 -1.973 -1.842 1.00 0.00 N ATOM 653 CA LYS A 45 -27.887 -2.652 -0.554 1.00 0.00 C ATOM 654 C LYS A 45 -26.936 -1.900 0.373 1.00 0.00 C ATOM 655 O LYS A 45 -25.730 -2.146 0.373 1.00 0.00 O ATOM 656 CB LYS A 45 -27.395 -4.086 -0.754 1.00 0.00 C ATOM 657 CG LYS A 45 -28.093 -5.098 0.141 1.00 0.00 C ATOM 658 CD LYS A 45 -27.171 -5.600 1.240 1.00 0.00 C ATOM 659 CE LYS A 45 -27.592 -6.975 1.736 1.00 0.00 C ATOM 660 NZ LYS A 45 -27.376 -7.126 3.201 1.00 0.00 N ATOM 0 H LYS A 45 -28.894 -2.150 -2.325 1.00 0.00 H new ATOM 0 HA LYS A 45 -28.873 -2.674 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -27.544 -4.371 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.322 -4.123 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -28.977 -4.642 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -28.437 -5.940 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.148 -5.644 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.176 -4.895 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -28.645 -7.138 1.506 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.027 -7.741 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.513 -8.121 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.408 -6.832 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -28.056 -6.531 3.715 1.00 0.00 H new ATOM 674 N THR A 46 -27.489 -0.982 1.158 1.00 0.00 N ATOM 675 CA THR A 46 -26.699 -0.186 2.091 1.00 0.00 C ATOM 676 C THR A 46 -25.515 -0.980 2.635 1.00 0.00 C ATOM 677 O THR A 46 -24.359 -0.637 2.386 1.00 0.00 O ATOM 678 CB THR A 46 -27.576 0.293 3.248 1.00 0.00 C ATOM 679 OG1 THR A 46 -28.553 1.210 2.790 1.00 0.00 O ATOM 680 CG2 THR A 46 -26.793 0.969 4.352 1.00 0.00 C ATOM 0 H THR A 46 -28.487 -0.770 1.167 1.00 0.00 H new ATOM 0 HA THR A 46 -26.311 0.676 1.548 1.00 0.00 H new ATOM 0 HB THR A 46 -28.039 -0.607 3.652 1.00 0.00 H new ATOM 0 HG1 THR A 46 -29.105 1.504 3.544 1.00 0.00 H new ATOM 0 HG21 THR A 46 -27.475 1.284 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 46 -26.063 0.270 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 46 -26.276 1.840 3.950 1.00 0.00 H new ATOM 688 N MET A 47 -25.808 -2.036 3.386 1.00 0.00 N ATOM 689 CA MET A 47 -24.763 -2.868 3.972 1.00 0.00 C ATOM 690 C MET A 47 -24.401 -4.031 3.055 1.00 0.00 C ATOM 691 O MET A 47 -25.070 -4.281 2.053 1.00 0.00 O ATOM 692 CB MET A 47 -25.211 -3.404 5.332 1.00 0.00 C ATOM 693 CG MET A 47 -25.790 -2.340 6.249 1.00 0.00 C ATOM 694 SD MET A 47 -26.136 -2.964 7.905 1.00 0.00 S ATOM 695 CE MET A 47 -25.586 -1.586 8.907 1.00 0.00 C ATOM 0 H MET A 47 -26.758 -2.336 3.603 1.00 0.00 H new ATOM 0 HA MET A 47 -23.878 -2.245 4.102 1.00 0.00 H new ATOM 0 HB2 MET A 47 -25.958 -4.183 5.177 1.00 0.00 H new ATOM 0 HB3 MET A 47 -24.360 -3.872 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 47 -25.092 -1.506 6.318 1.00 0.00 H new ATOM 0 HG3 MET A 47 -26.710 -1.951 5.812 1.00 0.00 H new ATOM 0 HE1 MET A 47 -25.736 -1.820 9.961 1.00 0.00 H new ATOM 0 HE2 MET A 47 -24.528 -1.402 8.723 1.00 0.00 H new ATOM 0 HE3 MET A 47 -26.160 -0.696 8.648 1.00 0.00 H new ATOM 705 N LEU A 48 -23.337 -4.742 3.415 1.00 0.00 N ATOM 706 CA LEU A 48 -22.875 -5.888 2.639 1.00 0.00 C ATOM 707 C LEU A 48 -22.819 -5.563 1.149 1.00 0.00 C ATOM 708 O LEU A 48 -23.611 -6.079 0.360 1.00 0.00 O ATOM 709 CB LEU A 48 -23.790 -7.091 2.879 1.00 0.00 C ATOM 710 CG LEU A 48 -23.094 -8.452 2.851 1.00 0.00 C ATOM 711 CD1 LEU A 48 -22.532 -8.791 4.224 1.00 0.00 C ATOM 712 CD2 LEU A 48 -24.057 -9.532 2.382 1.00 0.00 C ATOM 0 H LEU A 48 -22.776 -4.543 4.243 1.00 0.00 H new ATOM 0 HA LEU A 48 -21.866 -6.132 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -24.277 -6.970 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -24.576 -7.087 2.123 1.00 0.00 H new ATOM 0 HG LEU A 48 -22.265 -8.403 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -22.040 -9.763 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -21.810 -8.030 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -23.343 -8.823 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -23.545 -10.494 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -24.907 -9.583 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -24.410 -9.294 1.379 1.00 0.00 H new ATOM 724 N VAL A 49 -21.872 -4.710 0.771 1.00 0.00 N ATOM 725 CA VAL A 49 -21.704 -4.320 -0.623 1.00 0.00 C ATOM 726 C VAL A 49 -20.610 -5.148 -1.288 1.00 0.00 C ATOM 727 O VAL A 49 -19.500 -5.258 -0.768 1.00 0.00 O ATOM 728 CB VAL A 49 -21.351 -2.827 -0.751 1.00 0.00 C ATOM 729 CG1 VAL A 49 -21.545 -2.348 -2.182 1.00 0.00 C ATOM 730 CG2 VAL A 49 -22.184 -1.999 0.215 1.00 0.00 C ATOM 0 H VAL A 49 -21.209 -4.275 1.412 1.00 0.00 H new ATOM 0 HA VAL A 49 -22.655 -4.502 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 49 -20.300 -2.699 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.290 -1.290 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.899 -2.920 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -22.585 -2.490 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -21.922 -0.946 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -23.242 -2.133 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -21.986 -2.323 1.237 1.00 0.00 H new ATOM 740 N GLN A 50 -20.930 -5.733 -2.436 1.00 0.00 N ATOM 741 CA GLN A 50 -19.972 -6.556 -3.166 1.00 0.00 C ATOM 742 C GLN A 50 -19.467 -5.836 -4.411 1.00 0.00 C ATOM 743 O GLN A 50 -20.100 -5.879 -5.467 1.00 0.00 O ATOM 744 CB GLN A 50 -20.608 -7.889 -3.561 1.00 0.00 C ATOM 745 CG GLN A 50 -19.768 -8.695 -4.538 1.00 0.00 C ATOM 746 CD GLN A 50 -19.537 -10.119 -4.073 1.00 0.00 C ATOM 747 OE1 GLN A 50 -20.422 -10.747 -3.491 1.00 0.00 O ATOM 748 NE2 GLN A 50 -18.342 -10.639 -4.330 1.00 0.00 N ATOM 0 H GLN A 50 -21.844 -5.653 -2.881 1.00 0.00 H new ATOM 0 HA GLN A 50 -19.123 -6.744 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.776 -8.483 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -21.585 -7.699 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -20.262 -8.710 -5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -18.806 -8.202 -4.677 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -17.638 -10.083 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -18.129 -11.594 -4.042 1.00 0.00 H new ATOM 757 N LYS A 51 -18.321 -5.178 -4.281 1.00 0.00 N ATOM 758 CA LYS A 51 -17.727 -4.451 -5.396 1.00 0.00 C ATOM 759 C LYS A 51 -16.221 -4.672 -5.443 1.00 0.00 C ATOM 760 O LYS A 51 -15.484 -4.178 -4.589 1.00 0.00 O ATOM 761 CB LYS A 51 -18.028 -2.956 -5.276 1.00 0.00 C ATOM 762 CG LYS A 51 -17.752 -2.391 -3.893 1.00 0.00 C ATOM 763 CD LYS A 51 -16.357 -1.792 -3.805 1.00 0.00 C ATOM 764 CE LYS A 51 -16.408 -0.289 -3.587 1.00 0.00 C ATOM 765 NZ LYS A 51 -15.403 0.428 -4.419 1.00 0.00 N ATOM 0 H LYS A 51 -17.785 -5.133 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.164 -4.830 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -17.429 -2.413 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.074 -2.783 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.493 -1.627 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.858 -3.180 -3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.810 -2.261 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.808 -2.009 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.406 0.079 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.231 -0.069 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.471 1.450 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.449 0.096 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.587 0.239 -5.425 1.00 0.00 H new ATOM 779 N ASN A 52 -15.770 -5.417 -6.446 1.00 0.00 N ATOM 780 CA ASN A 52 -14.350 -5.705 -6.606 1.00 0.00 C ATOM 781 C ASN A 52 -13.945 -6.919 -5.778 1.00 0.00 C ATOM 782 O ASN A 52 -14.727 -7.422 -4.971 1.00 0.00 O ATOM 783 CB ASN A 52 -13.513 -4.493 -6.196 1.00 0.00 C ATOM 784 CG ASN A 52 -12.123 -4.520 -6.800 1.00 0.00 C ATOM 785 OD1 ASN A 52 -11.634 -5.575 -7.204 1.00 0.00 O ATOM 786 ND2 ASN A 52 -11.483 -3.355 -6.861 1.00 0.00 N ATOM 0 H ASN A 52 -16.368 -5.832 -7.161 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.166 -5.926 -7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.023 -3.581 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.434 -4.460 -5.109 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.932 -2.508 -6.513 1.00 0.00 H new ATOM 791 N VAL A 53 -12.718 -7.387 -5.983 1.00 0.00 N ATOM 792 CA VAL A 53 -12.211 -8.543 -5.254 1.00 0.00 C ATOM 793 C VAL A 53 -10.989 -8.176 -4.419 1.00 0.00 C ATOM 794 O VAL A 53 -9.885 -8.033 -4.946 1.00 0.00 O ATOM 795 CB VAL A 53 -11.843 -9.697 -6.209 1.00 0.00 C ATOM 796 CG1 VAL A 53 -12.678 -10.930 -5.899 1.00 0.00 C ATOM 797 CG2 VAL A 53 -12.023 -9.273 -7.660 1.00 0.00 C ATOM 0 H VAL A 53 -12.057 -6.984 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.012 -8.873 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.793 -9.947 -6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.406 -11.735 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.492 -11.247 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.735 -10.693 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.758 -10.102 -8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.062 -8.993 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.378 -8.421 -7.873 1.00 0.00 H new ATOM 807 N THR A 54 -11.194 -8.026 -3.114 1.00 0.00 N ATOM 808 CA THR A 54 -10.109 -7.676 -2.204 1.00 0.00 C ATOM 809 C THR A 54 -9.562 -6.287 -2.516 1.00 0.00 C ATOM 810 O THR A 54 -8.378 -6.128 -2.812 1.00 0.00 O ATOM 811 CB THR A 54 -8.987 -8.710 -2.293 1.00 0.00 C ATOM 812 OG1 THR A 54 -9.499 -10.021 -2.138 1.00 0.00 O ATOM 813 CG2 THR A 54 -7.907 -8.511 -1.252 1.00 0.00 C ATOM 0 H THR A 54 -12.102 -8.141 -2.663 1.00 0.00 H new ATOM 0 HA THR A 54 -10.508 -7.669 -1.190 1.00 0.00 H new ATOM 0 HB THR A 54 -8.546 -8.574 -3.281 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.766 -10.668 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.142 -9.278 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.457 -7.526 -1.378 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.344 -8.585 -0.256 1.00 0.00 H new ATOM 821 N SER A 55 -10.432 -5.284 -2.448 1.00 0.00 N ATOM 822 CA SER A 55 -10.035 -3.909 -2.725 1.00 0.00 C ATOM 823 C SER A 55 -9.177 -3.348 -1.592 1.00 0.00 C ATOM 824 O SER A 55 -7.972 -3.595 -1.535 1.00 0.00 O ATOM 825 CB SER A 55 -11.273 -3.034 -2.933 1.00 0.00 C ATOM 826 OG SER A 55 -12.156 -3.128 -1.828 1.00 0.00 O ATOM 0 H SER A 55 -11.416 -5.398 -2.204 1.00 0.00 H new ATOM 0 HA SER A 55 -9.439 -3.904 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.969 -1.996 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.790 -3.340 -3.843 1.00 0.00 H new ATOM 0 HG SER A 55 -12.938 -2.558 -1.985 1.00 0.00 H new ATOM 832 N GLU A 56 -9.803 -2.596 -0.691 1.00 0.00 N ATOM 833 CA GLU A 56 -9.093 -2.007 0.439 1.00 0.00 C ATOM 834 C GLU A 56 -9.383 -2.781 1.722 1.00 0.00 C ATOM 835 O GLU A 56 -10.471 -2.673 2.289 1.00 0.00 O ATOM 836 CB GLU A 56 -9.493 -0.540 0.610 1.00 0.00 C ATOM 837 CG GLU A 56 -10.971 -0.343 0.901 1.00 0.00 C ATOM 838 CD GLU A 56 -11.522 0.926 0.279 1.00 0.00 C ATOM 839 OE1 GLU A 56 -10.946 1.392 -0.726 1.00 0.00 O ATOM 840 OE2 GLU A 56 -12.529 1.452 0.797 1.00 0.00 O ATOM 0 H GLU A 56 -10.800 -2.381 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.023 -2.062 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.910 -0.105 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.234 0.007 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.529 -1.200 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.124 -0.311 1.980 1.00 0.00 H new ATOM 847 N SER A 57 -8.409 -3.565 2.170 1.00 0.00 N ATOM 848 CA SER A 57 -8.566 -4.362 3.382 1.00 0.00 C ATOM 849 C SER A 57 -7.855 -3.716 4.568 1.00 0.00 C ATOM 850 O SER A 57 -8.491 -3.322 5.544 1.00 0.00 O ATOM 851 CB SER A 57 -8.030 -5.777 3.159 1.00 0.00 C ATOM 852 OG SER A 57 -8.975 -6.751 3.570 1.00 0.00 O ATOM 0 H SER A 57 -7.503 -3.666 1.713 1.00 0.00 H new ATOM 0 HA SER A 57 -9.630 -4.413 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.793 -5.918 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.102 -5.909 3.714 1.00 0.00 H new ATOM 0 HG SER A 57 -8.609 -7.647 3.416 1.00 0.00 H new ATOM 858 N THR A 58 -6.532 -3.616 4.481 1.00 0.00 N ATOM 859 CA THR A 58 -5.741 -3.025 5.554 1.00 0.00 C ATOM 860 C THR A 58 -4.697 -2.058 5.006 1.00 0.00 C ATOM 861 O THR A 58 -5.030 -1.099 4.311 1.00 0.00 O ATOM 862 CB THR A 58 -5.074 -4.123 6.380 1.00 0.00 C ATOM 863 OG1 THR A 58 -5.993 -5.163 6.667 1.00 0.00 O ATOM 864 CG2 THR A 58 -4.521 -3.623 7.697 1.00 0.00 C ATOM 0 H THR A 58 -5.987 -3.936 3.681 1.00 0.00 H new ATOM 0 HA THR A 58 -6.413 -2.456 6.197 1.00 0.00 H new ATOM 0 HB THR A 58 -4.247 -4.485 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.758 -5.580 7.522 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.060 -4.451 8.236 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.774 -2.852 7.509 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.330 -3.205 8.296 1.00 0.00 H new ATOM 872 N CYS A 59 -3.437 -2.310 5.331 1.00 0.00 N ATOM 873 CA CYS A 59 -2.339 -1.462 4.881 1.00 0.00 C ATOM 874 C CYS A 59 -1.579 -2.114 3.730 1.00 0.00 C ATOM 875 O CYS A 59 -1.489 -3.338 3.645 1.00 0.00 O ATOM 876 CB CYS A 59 -1.386 -1.166 6.044 1.00 0.00 C ATOM 877 SG CYS A 59 0.042 -2.295 6.155 1.00 0.00 S ATOM 0 H CYS A 59 -3.147 -3.100 5.908 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.761 -0.524 4.521 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.019 -0.144 5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.946 -1.215 6.978 1.00 0.00 H new ATOM 882 N CYS A 60 -1.035 -1.284 2.845 1.00 0.00 N ATOM 883 CA CYS A 60 -0.285 -1.773 1.694 1.00 0.00 C ATOM 884 C CYS A 60 0.775 -2.789 2.111 1.00 0.00 C ATOM 885 O CYS A 60 1.127 -2.892 3.286 1.00 0.00 O ATOM 886 CB CYS A 60 0.373 -0.605 0.958 1.00 0.00 C ATOM 887 SG CYS A 60 1.151 0.625 2.058 1.00 0.00 S ATOM 0 H CYS A 60 -1.100 -0.268 2.904 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.987 -2.271 1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.129 -0.998 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.378 -0.106 0.346 1.00 0.00 H new ATOM 892 N VAL A 61 1.279 -3.535 1.132 1.00 0.00 N ATOM 893 CA VAL A 61 2.301 -4.546 1.377 1.00 0.00 C ATOM 894 C VAL A 61 2.620 -5.312 0.097 1.00 0.00 C ATOM 895 O VAL A 61 2.522 -6.538 0.050 1.00 0.00 O ATOM 896 CB VAL A 61 1.870 -5.539 2.472 1.00 0.00 C ATOM 897 CG1 VAL A 61 2.405 -5.100 3.825 1.00 0.00 C ATOM 898 CG2 VAL A 61 0.354 -5.676 2.511 1.00 0.00 C ATOM 0 H VAL A 61 0.994 -3.457 0.156 1.00 0.00 H new ATOM 0 HA VAL A 61 3.193 -4.021 1.719 1.00 0.00 H new ATOM 0 HB VAL A 61 2.291 -6.516 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.092 -5.812 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.494 -5.060 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.014 -4.112 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.072 -6.382 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.094 -4.705 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.003 -6.039 1.547 1.00 0.00 H new ATOM 908 N ALA A 62 3.004 -4.565 -0.934 1.00 0.00 N ATOM 909 CA ALA A 62 3.348 -5.128 -2.237 1.00 0.00 C ATOM 910 C ALA A 62 2.795 -6.535 -2.442 1.00 0.00 C ATOM 911 O ALA A 62 3.297 -7.502 -1.867 1.00 0.00 O ATOM 912 CB ALA A 62 4.853 -5.133 -2.430 1.00 0.00 C ATOM 0 H ALA A 62 3.086 -3.549 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 62 2.881 -4.487 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.093 -5.556 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.230 -4.112 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.318 -5.735 -1.649 1.00 0.00 H new ATOM 918 N LYS A 63 1.788 -6.647 -3.302 1.00 0.00 N ATOM 919 CA LYS A 63 1.195 -7.935 -3.627 1.00 0.00 C ATOM 920 C LYS A 63 2.282 -8.861 -4.140 1.00 0.00 C ATOM 921 O LYS A 63 2.295 -10.061 -3.865 1.00 0.00 O ATOM 922 CB LYS A 63 0.124 -7.757 -4.702 1.00 0.00 C ATOM 923 CG LYS A 63 -0.743 -8.987 -4.915 1.00 0.00 C ATOM 924 CD LYS A 63 -1.495 -8.913 -6.236 1.00 0.00 C ATOM 925 CE LYS A 63 -2.712 -8.007 -6.135 1.00 0.00 C ATOM 926 NZ LYS A 63 -3.040 -7.369 -7.441 1.00 0.00 N ATOM 0 H LYS A 63 1.365 -5.856 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 63 0.734 -8.361 -2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.515 -6.917 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.608 -7.498 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.120 -9.881 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.454 -9.080 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.828 -8.543 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.809 -9.914 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.568 -8.586 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.528 -7.234 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.875 -6.760 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.233 -6.796 -7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.241 -8.106 -8.147 1.00 0.00 H new ATOM 940 N SER A 64 3.206 -8.262 -4.877 1.00 0.00 N ATOM 941 CA SER A 64 4.338 -8.971 -5.442 1.00 0.00 C ATOM 942 C SER A 64 5.557 -8.066 -5.387 1.00 0.00 C ATOM 943 O SER A 64 5.442 -6.852 -5.563 1.00 0.00 O ATOM 944 CB SER A 64 4.055 -9.396 -6.884 1.00 0.00 C ATOM 945 OG SER A 64 3.186 -10.514 -6.922 1.00 0.00 O ATOM 0 H SER A 64 3.189 -7.267 -5.099 1.00 0.00 H new ATOM 0 HA SER A 64 4.521 -9.876 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.609 -8.565 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.991 -9.641 -7.385 1.00 0.00 H new ATOM 0 HG SER A 64 2.860 -10.706 -6.018 1.00 0.00 H new ATOM 951 N TYR A 65 6.715 -8.639 -5.114 1.00 0.00 N ATOM 952 CA TYR A 65 7.925 -7.842 -5.006 1.00 0.00 C ATOM 953 C TYR A 65 9.038 -8.345 -5.895 1.00 0.00 C ATOM 954 O TYR A 65 9.070 -9.511 -6.289 1.00 0.00 O ATOM 955 CB TYR A 65 8.423 -7.842 -3.568 1.00 0.00 C ATOM 956 CG TYR A 65 8.180 -9.136 -2.827 1.00 0.00 C ATOM 957 CD1 TYR A 65 8.325 -10.362 -3.462 1.00 0.00 C ATOM 958 CD2 TYR A 65 7.811 -9.129 -1.489 1.00 0.00 C ATOM 959 CE1 TYR A 65 8.108 -11.547 -2.784 1.00 0.00 C ATOM 960 CE2 TYR A 65 7.594 -10.308 -0.803 1.00 0.00 C ATOM 961 CZ TYR A 65 7.743 -11.514 -1.454 1.00 0.00 C ATOM 962 OH TYR A 65 7.528 -12.690 -0.774 1.00 0.00 O ATOM 0 H TYR A 65 6.844 -9.640 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 65 7.661 -6.835 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.492 -7.631 -3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.937 -7.030 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.612 -10.390 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.692 -8.186 -0.976 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.224 -12.493 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.309 -10.285 0.238 1.00 0.00 H new ATOM 0 HH TYR A 65 7.279 -12.491 0.153 1.00 0.00 H new ATOM 972 N ASN A 66 9.986 -7.459 -6.156 1.00 0.00 N ATOM 973 CA ASN A 66 11.151 -7.819 -6.946 1.00 0.00 C ATOM 974 C ASN A 66 12.384 -7.436 -6.167 1.00 0.00 C ATOM 975 O ASN A 66 13.444 -7.132 -6.714 1.00 0.00 O ATOM 976 CB ASN A 66 11.133 -7.153 -8.311 1.00 0.00 C ATOM 977 CG ASN A 66 10.892 -8.137 -9.437 1.00 0.00 C ATOM 978 OD1 ASN A 66 9.772 -8.606 -9.641 1.00 0.00 O ATOM 979 ND2 ASN A 66 11.948 -8.456 -10.175 1.00 0.00 N ATOM 0 H ASN A 66 9.972 -6.491 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 66 11.146 -8.893 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.355 -6.389 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.083 -6.644 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.850 -9.115 -10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.858 -8.043 -9.969 1.00 0.00 H new ATOM 986 N ARG A 67 12.186 -7.465 -4.868 1.00 0.00 N ATOM 987 CA ARG A 67 13.207 -7.139 -3.884 1.00 0.00 C ATOM 988 C ARG A 67 14.588 -7.046 -4.513 1.00 0.00 C ATOM 989 O ARG A 67 15.029 -7.948 -5.224 1.00 0.00 O ATOM 990 CB ARG A 67 13.209 -8.196 -2.787 1.00 0.00 C ATOM 991 CG ARG A 67 13.034 -9.594 -3.337 1.00 0.00 C ATOM 992 CD ARG A 67 13.462 -10.669 -2.346 1.00 0.00 C ATOM 993 NE ARG A 67 13.962 -10.109 -1.092 1.00 0.00 N ATOM 994 CZ ARG A 67 13.615 -10.560 0.111 1.00 0.00 C ATOM 995 NH1 ARG A 67 12.781 -11.586 0.229 1.00 0.00 N ATOM 996 NH2 ARG A 67 14.110 -9.989 1.201 1.00 0.00 N ATOM 0 H ARG A 67 11.291 -7.721 -4.451 1.00 0.00 H new ATOM 0 HA ARG A 67 12.970 -6.162 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.146 -8.140 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.408 -7.983 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.989 -9.747 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.616 -9.696 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.615 -11.322 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.237 -11.287 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 67 14.615 -9.327 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.402 -12.034 -0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.519 -11.927 1.154 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.756 -9.204 1.117 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.844 -10.334 2.123 1.00 0.00 H new ATOM 1010 N VAL A 68 15.264 -5.949 -4.226 1.00 0.00 N ATOM 1011 CA VAL A 68 16.605 -5.711 -4.735 1.00 0.00 C ATOM 1012 C VAL A 68 17.496 -5.202 -3.618 1.00 0.00 C ATOM 1013 O VAL A 68 18.278 -4.268 -3.798 1.00 0.00 O ATOM 1014 CB VAL A 68 16.601 -4.689 -5.890 1.00 0.00 C ATOM 1015 CG1 VAL A 68 15.527 -5.029 -6.914 1.00 0.00 C ATOM 1016 CG2 VAL A 68 16.393 -3.279 -5.358 1.00 0.00 C ATOM 0 H VAL A 68 14.902 -5.200 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 68 16.988 -6.657 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 68 17.572 -4.736 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.545 -4.293 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 68 15.717 -6.020 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.549 -5.017 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.393 -2.573 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.438 -3.224 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.199 -3.028 -4.668 1.00 0.00 H new ATOM 1026 N THR A 69 17.344 -5.822 -2.458 1.00 0.00 N ATOM 1027 CA THR A 69 18.098 -5.448 -1.266 1.00 0.00 C ATOM 1028 C THR A 69 19.234 -4.489 -1.593 1.00 0.00 C ATOM 1029 O THR A 69 20.148 -4.817 -2.351 1.00 0.00 O ATOM 1030 CB THR A 69 18.651 -6.676 -0.552 1.00 0.00 C ATOM 1031 OG1 THR A 69 17.603 -7.449 0.007 1.00 0.00 O ATOM 1032 CG2 THR A 69 19.605 -6.316 0.565 1.00 0.00 C ATOM 0 H THR A 69 16.697 -6.597 -2.314 1.00 0.00 H new ATOM 0 HA THR A 69 17.400 -4.939 -0.602 1.00 0.00 H new ATOM 0 HB THR A 69 19.189 -7.245 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.040 -6.878 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 69 19.969 -7.227 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.448 -5.757 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.087 -5.704 1.303 1.00 0.00 H new ATOM 1040 N VAL A 70 19.156 -3.299 -1.016 1.00 0.00 N ATOM 1041 CA VAL A 70 20.160 -2.266 -1.234 1.00 0.00 C ATOM 1042 C VAL A 70 20.783 -1.796 0.067 1.00 0.00 C ATOM 1043 O VAL A 70 20.595 -2.396 1.125 1.00 0.00 O ATOM 1044 CB VAL A 70 19.564 -1.037 -1.937 1.00 0.00 C ATOM 1045 CG1 VAL A 70 20.425 -0.636 -3.124 1.00 0.00 C ATOM 1046 CG2 VAL A 70 18.127 -1.303 -2.362 1.00 0.00 C ATOM 0 H VAL A 70 18.401 -3.023 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 70 20.923 -2.725 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 70 19.552 -0.205 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.989 0.236 -3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 70 21.430 -0.395 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.473 -1.462 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.725 -0.420 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 70 18.102 -2.148 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 17.524 -1.532 -1.483 1.00 0.00 H new ATOM 1056 N MET A 71 21.523 -0.704 -0.036 1.00 0.00 N ATOM 1057 CA MET A 71 22.189 -0.108 1.109 1.00 0.00 C ATOM 1058 C MET A 71 22.667 -1.168 2.079 1.00 0.00 C ATOM 1059 O MET A 71 23.326 -2.133 1.693 1.00 0.00 O ATOM 1060 CB MET A 71 21.251 0.857 1.827 1.00 0.00 C ATOM 1061 CG MET A 71 20.635 1.876 0.905 1.00 0.00 C ATOM 1062 SD MET A 71 19.830 3.227 1.786 1.00 0.00 S ATOM 1063 CE MET A 71 21.107 3.668 2.961 1.00 0.00 C ATOM 0 H MET A 71 21.678 -0.208 -0.913 1.00 0.00 H new ATOM 0 HA MET A 71 23.056 0.439 0.739 1.00 0.00 H new ATOM 0 HB2 MET A 71 20.458 0.289 2.314 1.00 0.00 H new ATOM 0 HB3 MET A 71 21.802 1.373 2.613 1.00 0.00 H new ATOM 0 HG2 MET A 71 21.409 2.284 0.254 1.00 0.00 H new ATOM 0 HG3 MET A 71 19.906 1.383 0.263 1.00 0.00 H new ATOM 0 HE1 MET A 71 21.003 4.718 3.235 1.00 0.00 H new ATOM 0 HE2 MET A 71 21.010 3.049 3.853 1.00 0.00 H new ATOM 0 HE3 MET A 71 22.087 3.506 2.511 1.00 0.00 H new ATOM 1073 N GLY A 72 22.335 -0.974 3.343 1.00 0.00 N ATOM 1074 CA GLY A 72 22.739 -1.906 4.359 1.00 0.00 C ATOM 1075 C GLY A 72 21.831 -3.118 4.447 1.00 0.00 C ATOM 1076 O GLY A 72 21.631 -3.672 5.526 1.00 0.00 O ATOM 0 H GLY A 72 21.789 -0.181 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.758 -2.236 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 72 22.754 -1.399 5.324 1.00 0.00 H new ATOM 1080 N GLY A 73 21.285 -3.534 3.308 1.00 0.00 N ATOM 1081 CA GLY A 73 20.407 -4.689 3.288 1.00 0.00 C ATOM 1082 C GLY A 73 18.948 -4.315 3.129 1.00 0.00 C ATOM 1083 O GLY A 73 18.061 -5.068 3.532 1.00 0.00 O ATOM 0 H GLY A 73 21.435 -3.093 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 73 20.700 -5.348 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.534 -5.252 4.212 1.00 0.00 H new ATOM 1087 N PHE A 74 18.697 -3.155 2.534 1.00 0.00 N ATOM 1088 CA PHE A 74 17.334 -2.694 2.316 1.00 0.00 C ATOM 1089 C PHE A 74 16.529 -3.760 1.584 1.00 0.00 C ATOM 1090 O PHE A 74 17.077 -4.775 1.160 1.00 0.00 O ATOM 1091 CB PHE A 74 17.338 -1.388 1.516 1.00 0.00 C ATOM 1092 CG PHE A 74 17.611 -0.173 2.358 1.00 0.00 C ATOM 1093 CD1 PHE A 74 18.511 -0.233 3.411 1.00 0.00 C ATOM 1094 CD2 PHE A 74 16.972 1.029 2.098 1.00 0.00 C ATOM 1095 CE1 PHE A 74 18.768 0.882 4.187 1.00 0.00 C ATOM 1096 CE2 PHE A 74 17.225 2.147 2.871 1.00 0.00 C ATOM 1097 CZ PHE A 74 18.124 2.073 3.917 1.00 0.00 C ATOM 0 H PHE A 74 19.419 -2.519 2.195 1.00 0.00 H new ATOM 0 HA PHE A 74 16.868 -2.508 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 74 18.091 -1.454 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 74 16.373 -1.270 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 74 19.017 -1.162 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 74 16.268 1.093 1.282 1.00 0.00 H new ATOM 0 HE1 PHE A 74 19.472 0.821 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.720 3.077 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.323 2.945 4.522 1.00 0.00 H new ATOM 1107 N LYS A 75 15.231 -3.528 1.437 1.00 0.00 N ATOM 1108 CA LYS A 75 14.366 -4.478 0.749 1.00 0.00 C ATOM 1109 C LYS A 75 13.119 -3.790 0.204 1.00 0.00 C ATOM 1110 O LYS A 75 12.076 -3.762 0.858 1.00 0.00 O ATOM 1111 CB LYS A 75 13.956 -5.624 1.680 1.00 0.00 C ATOM 1112 CG LYS A 75 14.914 -5.862 2.835 1.00 0.00 C ATOM 1113 CD LYS A 75 14.683 -4.872 3.962 1.00 0.00 C ATOM 1114 CE LYS A 75 13.253 -4.937 4.475 1.00 0.00 C ATOM 1115 NZ LYS A 75 13.189 -5.411 5.885 1.00 0.00 N ATOM 0 H LYS A 75 14.756 -2.695 1.783 1.00 0.00 H new ATOM 0 HA LYS A 75 14.934 -4.888 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.965 -5.413 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.875 -6.540 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.788 -6.878 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.941 -5.778 2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.374 -5.081 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.900 -3.863 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.796 -3.950 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.670 -5.605 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.197 -5.441 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.601 -6.364 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.724 -4.760 6.495 1.00 0.00 H new ATOM 1129 N VAL A 76 13.230 -3.251 -1.004 1.00 0.00 N ATOM 1130 CA VAL A 76 12.108 -2.578 -1.654 1.00 0.00 C ATOM 1131 C VAL A 76 11.191 -3.581 -2.255 1.00 0.00 C ATOM 1132 O VAL A 76 10.293 -3.241 -3.026 1.00 0.00 O ATOM 1133 CB VAL A 76 12.594 -1.666 -2.793 1.00 0.00 C ATOM 1134 CG1 VAL A 76 13.383 -0.506 -2.222 1.00 0.00 C ATOM 1135 CG2 VAL A 76 13.454 -2.513 -3.719 1.00 0.00 C ATOM 0 H VAL A 76 14.088 -3.266 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 76 11.600 -1.987 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 76 11.754 -1.247 -3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.725 0.136 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.748 0.068 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.245 -0.887 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.818 -1.898 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.302 -2.914 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.859 -3.336 -4.116 1.00 0.00 H new ATOM 1145 N GLU A 77 11.452 -4.822 -1.931 1.00 0.00 N ATOM 1146 CA GLU A 77 10.676 -5.907 -2.491 1.00 0.00 C ATOM 1147 C GLU A 77 10.251 -5.430 -3.860 1.00 0.00 C ATOM 1148 O GLU A 77 9.107 -5.588 -4.277 1.00 0.00 O ATOM 1149 CB GLU A 77 9.465 -6.212 -1.604 1.00 0.00 C ATOM 1150 CG GLU A 77 9.431 -5.412 -0.312 1.00 0.00 C ATOM 1151 CD GLU A 77 10.026 -6.168 0.860 1.00 0.00 C ATOM 1152 OE1 GLU A 77 9.296 -6.966 1.486 1.00 0.00 O ATOM 1153 OE2 GLU A 77 11.223 -5.963 1.154 1.00 0.00 O ATOM 0 H GLU A 77 12.190 -5.108 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 77 11.248 -6.833 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.554 -6.012 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.463 -7.275 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.977 -4.479 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.400 -5.146 -0.081 1.00 0.00 H new ATOM 1160 N ASN A 78 11.210 -4.752 -4.501 1.00 0.00 N ATOM 1161 CA ASN A 78 11.004 -4.106 -5.781 1.00 0.00 C ATOM 1162 C ASN A 78 9.565 -4.307 -6.196 1.00 0.00 C ATOM 1163 O ASN A 78 9.248 -5.029 -7.141 1.00 0.00 O ATOM 1164 CB ASN A 78 11.977 -4.573 -6.852 1.00 0.00 C ATOM 1165 CG ASN A 78 11.919 -3.626 -8.022 1.00 0.00 C ATOM 1166 OD1 ASN A 78 12.022 -2.413 -7.850 1.00 0.00 O ATOM 1167 ND2 ASN A 78 11.762 -4.161 -9.212 1.00 0.00 N ATOM 0 H ASN A 78 12.155 -4.641 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 78 11.208 -3.041 -5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.989 -4.610 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.724 -5.583 -7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.681 -5.173 -9.309 1.00 0.00 H new ATOM 1172 N HIS A 79 8.706 -3.691 -5.404 1.00 0.00 N ATOM 1173 CA HIS A 79 7.271 -3.793 -5.560 1.00 0.00 C ATOM 1174 C HIS A 79 6.809 -3.808 -6.995 1.00 0.00 C ATOM 1175 O HIS A 79 6.974 -2.860 -7.749 1.00 0.00 O ATOM 1176 CB HIS A 79 6.567 -2.703 -4.762 1.00 0.00 C ATOM 1177 CG HIS A 79 6.877 -2.837 -3.316 1.00 0.00 C ATOM 1178 ND1 HIS A 79 6.386 -2.032 -2.319 1.00 0.00 N ATOM 1179 CD2 HIS A 79 7.676 -3.738 -2.717 1.00 0.00 C ATOM 1180 CE1 HIS A 79 6.900 -2.460 -1.159 1.00 0.00 C ATOM 1181 NE2 HIS A 79 7.692 -3.500 -1.346 1.00 0.00 N ATOM 0 H HIS A 79 8.992 -3.098 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 79 6.991 -4.767 -5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 79 6.882 -1.722 -5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.490 -2.768 -4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.220 -4.523 -3.221 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.694 -2.014 -0.197 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.207 -4.019 -0.635 1.00 0.00 H new ATOM 1189 N THR A 80 6.195 -4.910 -7.336 1.00 0.00 N ATOM 1190 CA THR A 80 5.643 -5.105 -8.663 1.00 0.00 C ATOM 1191 C THR A 80 4.136 -4.975 -8.592 1.00 0.00 C ATOM 1192 O THR A 80 3.461 -4.753 -9.597 1.00 0.00 O ATOM 1193 CB THR A 80 6.042 -6.470 -9.191 1.00 0.00 C ATOM 1194 OG1 THR A 80 5.104 -7.458 -8.800 1.00 0.00 O ATOM 1195 CG2 THR A 80 7.398 -6.888 -8.688 1.00 0.00 C ATOM 0 H THR A 80 6.060 -5.701 -6.707 1.00 0.00 H new ATOM 0 HA THR A 80 6.034 -4.350 -9.345 1.00 0.00 H new ATOM 0 HB THR A 80 6.069 -6.385 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.381 -8.329 -9.153 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.648 -7.871 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 80 8.145 -6.164 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.384 -6.933 -7.599 1.00 0.00 H new ATOM 1203 N ALA A 81 3.623 -5.106 -7.375 1.00 0.00 N ATOM 1204 CA ALA A 81 2.193 -4.995 -7.128 1.00 0.00 C ATOM 1205 C ALA A 81 1.935 -4.692 -5.660 1.00 0.00 C ATOM 1206 O ALA A 81 2.688 -5.132 -4.795 1.00 0.00 O ATOM 1207 CB ALA A 81 1.484 -6.276 -7.543 1.00 0.00 C ATOM 0 H ALA A 81 4.180 -5.290 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 81 1.797 -4.174 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.415 -6.178 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.648 -6.455 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.880 -7.113 -6.969 1.00 0.00 H new ATOM 1213 N CYS A 82 0.875 -3.942 -5.378 1.00 0.00 N ATOM 1214 CA CYS A 82 0.540 -3.597 -4.001 1.00 0.00 C ATOM 1215 C CYS A 82 -0.885 -4.018 -3.663 1.00 0.00 C ATOM 1216 O CYS A 82 -1.766 -4.023 -4.524 1.00 0.00 O ATOM 1217 CB CYS A 82 0.716 -2.096 -3.753 1.00 0.00 C ATOM 1218 SG CYS A 82 1.397 -1.695 -2.108 1.00 0.00 S ATOM 0 H CYS A 82 0.237 -3.564 -6.079 1.00 0.00 H new ATOM 0 HA CYS A 82 1.226 -4.140 -3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.375 -1.686 -4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.250 -1.603 -3.866 1.00 0.00 H new ATOM 1223 N HIS A 83 -1.101 -4.372 -2.401 1.00 0.00 N ATOM 1224 CA HIS A 83 -2.416 -4.796 -1.940 1.00 0.00 C ATOM 1225 C HIS A 83 -2.515 -4.684 -0.422 1.00 0.00 C ATOM 1226 O HIS A 83 -1.735 -5.294 0.310 1.00 0.00 O ATOM 1227 CB HIS A 83 -2.700 -6.232 -2.386 1.00 0.00 C ATOM 1228 CG HIS A 83 -1.867 -7.260 -1.683 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -2.272 -8.568 -1.508 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -0.642 -7.169 -1.111 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -1.334 -9.235 -0.859 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -0.336 -8.409 -0.607 1.00 0.00 N ATOM 0 H HIS A 83 -0.381 -4.373 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.164 -4.138 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.754 -6.454 -2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.527 -6.310 -3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.022 -6.286 -1.061 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.377 -10.278 -0.582 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.525 -8.653 -0.117 1.00 0.00 H new ATOM 1241 N CYS A 84 -3.475 -3.892 0.041 1.00 0.00 N ATOM 1242 CA CYS A 84 -3.680 -3.683 1.470 1.00 0.00 C ATOM 1243 C CYS A 84 -4.250 -4.931 2.138 1.00 0.00 C ATOM 1244 O CYS A 84 -4.971 -5.708 1.514 1.00 0.00 O ATOM 1245 CB CYS A 84 -4.620 -2.500 1.697 1.00 0.00 C ATOM 1246 SG CYS A 84 -4.044 -0.941 0.950 1.00 0.00 S ATOM 0 H CYS A 84 -4.127 -3.382 -0.555 1.00 0.00 H new ATOM 0 HA CYS A 84 -2.710 -3.469 1.920 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -5.601 -2.745 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.748 -2.352 2.769 1.00 0.00 H new ATOM 1251 N SER A 85 -3.923 -5.107 3.417 1.00 0.00 N ATOM 1252 CA SER A 85 -4.402 -6.252 4.188 1.00 0.00 C ATOM 1253 C SER A 85 -3.485 -6.533 5.376 1.00 0.00 C ATOM 1254 O SER A 85 -2.314 -6.154 5.371 1.00 0.00 O ATOM 1255 CB SER A 85 -4.505 -7.497 3.305 1.00 0.00 C ATOM 1256 OG SER A 85 -3.314 -7.701 2.562 1.00 0.00 O ATOM 0 H SER A 85 -3.326 -4.468 3.943 1.00 0.00 H new ATOM 0 HA SER A 85 -5.395 -6.005 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.703 -8.371 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.349 -7.393 2.623 1.00 0.00 H new ATOM 0 HG SER A 85 -3.408 -8.504 2.008 1.00 0.00 H new ATOM 1262 N THR A 86 -4.035 -7.193 6.394 1.00 0.00 N ATOM 1263 CA THR A 86 -3.282 -7.525 7.602 1.00 0.00 C ATOM 1264 C THR A 86 -1.780 -7.499 7.342 1.00 0.00 C ATOM 1265 O THR A 86 -1.256 -8.310 6.579 1.00 0.00 O ATOM 1266 CB THR A 86 -3.696 -8.902 8.125 1.00 0.00 C ATOM 1267 OG1 THR A 86 -2.568 -9.622 8.589 1.00 0.00 O ATOM 1268 CG2 THR A 86 -4.389 -9.756 7.085 1.00 0.00 C ATOM 0 H THR A 86 -5.005 -7.510 6.406 1.00 0.00 H new ATOM 0 HA THR A 86 -3.511 -6.771 8.355 1.00 0.00 H new ATOM 0 HB THR A 86 -4.399 -8.703 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.853 -10.499 8.921 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.655 -10.718 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.292 -9.251 6.743 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.719 -9.915 6.240 1.00 0.00 H new ATOM 1276 N CYS A 87 -1.094 -6.557 7.979 1.00 0.00 N ATOM 1277 CA CYS A 87 0.348 -6.418 7.816 1.00 0.00 C ATOM 1278 C CYS A 87 1.055 -6.447 9.167 1.00 0.00 C ATOM 1279 O CYS A 87 2.063 -5.768 9.366 1.00 0.00 O ATOM 1280 CB CYS A 87 0.677 -5.115 7.082 1.00 0.00 C ATOM 1281 SG CYS A 87 -0.771 -4.058 6.749 1.00 0.00 S ATOM 0 H CYS A 87 -1.514 -5.878 8.614 1.00 0.00 H new ATOM 0 HA CYS A 87 0.703 -7.261 7.223 1.00 0.00 H new ATOM 0 HB2 CYS A 87 1.397 -4.550 7.674 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.162 -5.356 6.136 1.00 0.00 H new ATOM 1286 N TYR A 88 0.520 -7.236 10.094 1.00 0.00 N ATOM 1287 CA TYR A 88 1.101 -7.350 11.427 1.00 0.00 C ATOM 1288 C TYR A 88 1.379 -5.972 12.020 1.00 0.00 C ATOM 1289 O TYR A 88 2.208 -5.829 12.918 1.00 0.00 O ATOM 1290 CB TYR A 88 2.397 -8.162 11.377 1.00 0.00 C ATOM 1291 CG TYR A 88 2.186 -9.659 11.311 1.00 0.00 C ATOM 1292 CD1 TYR A 88 0.963 -10.231 11.646 1.00 0.00 C ATOM 1293 CD2 TYR A 88 3.216 -10.503 10.914 1.00 0.00 C ATOM 1294 CE1 TYR A 88 0.775 -11.599 11.588 1.00 0.00 C ATOM 1295 CE2 TYR A 88 3.035 -11.871 10.853 1.00 0.00 C ATOM 1296 CZ TYR A 88 1.813 -12.414 11.192 1.00 0.00 C ATOM 1297 OH TYR A 88 1.630 -13.778 11.135 1.00 0.00 O ATOM 0 H TYR A 88 -0.314 -7.805 9.947 1.00 0.00 H new ATOM 0 HA TYR A 88 0.381 -7.864 12.064 1.00 0.00 H new ATOM 0 HB2 TYR A 88 2.976 -7.849 10.508 1.00 0.00 H new ATOM 0 HB3 TYR A 88 2.994 -7.929 12.259 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.147 -9.596 11.957 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.175 -10.082 10.649 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.181 -12.027 11.852 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.846 -12.512 10.541 1.00 0.00 H new ATOM 0 HH TYR A 88 2.459 -14.207 10.836 1.00 0.00 H new ATOM 1307 N TYR A 89 0.681 -4.960 11.513 1.00 0.00 N ATOM 1308 CA TYR A 89 0.857 -3.596 11.998 1.00 0.00 C ATOM 1309 C TYR A 89 0.313 -3.456 13.415 1.00 0.00 C ATOM 1310 O TYR A 89 -0.887 -3.260 13.613 1.00 0.00 O ATOM 1311 CB TYR A 89 0.156 -2.600 11.070 1.00 0.00 C ATOM 1312 CG TYR A 89 0.846 -1.254 10.979 1.00 0.00 C ATOM 1313 CD1 TYR A 89 2.055 -1.021 11.625 1.00 0.00 C ATOM 1314 CD2 TYR A 89 0.288 -0.217 10.241 1.00 0.00 C ATOM 1315 CE1 TYR A 89 2.686 0.206 11.538 1.00 0.00 C ATOM 1316 CE2 TYR A 89 0.914 1.012 10.149 1.00 0.00 C ATOM 1317 CZ TYR A 89 2.112 1.218 10.799 1.00 0.00 C ATOM 1318 OH TYR A 89 2.740 2.439 10.709 1.00 0.00 O ATOM 0 H TYR A 89 -0.010 -5.059 10.769 1.00 0.00 H new ATOM 0 HA TYR A 89 1.924 -3.376 12.008 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.092 -3.032 10.071 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.866 -2.451 11.419 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.509 -1.812 12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.651 -0.374 9.731 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.624 0.371 12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 89 0.467 1.807 9.571 1.00 0.00 H new ATOM 0 HH TYR A 89 2.153 3.076 10.251 1.00 0.00 H new ATOM 1328 N HIS A 90 1.199 -3.563 14.398 1.00 0.00 N ATOM 1329 CA HIS A 90 0.802 -3.452 15.796 1.00 0.00 C ATOM 1330 C HIS A 90 0.104 -2.123 16.062 1.00 0.00 C ATOM 1331 O HIS A 90 0.530 -1.077 15.573 1.00 0.00 O ATOM 1332 CB HIS A 90 2.021 -3.596 16.708 1.00 0.00 C ATOM 1333 CG HIS A 90 1.673 -3.999 18.106 1.00 0.00 C ATOM 1334 ND1 HIS A 90 2.198 -3.381 19.221 1.00 0.00 N ATOM 1335 CD2 HIS A 90 0.842 -4.963 18.569 1.00 0.00 C ATOM 1336 CE1 HIS A 90 1.707 -3.948 20.309 1.00 0.00 C ATOM 1337 NE2 HIS A 90 0.881 -4.910 19.940 1.00 0.00 N ATOM 0 H HIS A 90 2.195 -3.726 14.253 1.00 0.00 H new ATOM 0 HA HIS A 90 0.100 -4.257 16.012 1.00 0.00 H new ATOM 0 HB2 HIS A 90 2.698 -4.336 16.282 1.00 0.00 H new ATOM 0 HB3 HIS A 90 2.560 -2.649 16.734 1.00 0.00 H new ATOM 0 HD2 HIS A 90 0.257 -5.646 17.971 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.941 -3.672 21.326 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.357 -5.516 20.572 1.00 0.00 H new ATOM 1346 N LYS A 91 -0.972 -2.173 16.842 1.00 0.00 N ATOM 1347 CA LYS A 91 -1.734 -0.975 17.176 1.00 0.00 C ATOM 1348 C LYS A 91 -1.542 -0.601 18.643 1.00 0.00 C ATOM 1349 O LYS A 91 -1.832 -1.393 19.539 1.00 0.00 O ATOM 1350 CB LYS A 91 -3.221 -1.196 16.874 1.00 0.00 C ATOM 1351 CG LYS A 91 -4.166 -0.373 17.740 1.00 0.00 C ATOM 1352 CD LYS A 91 -4.492 0.963 17.094 1.00 0.00 C ATOM 1353 CE LYS A 91 -5.458 0.798 15.933 1.00 0.00 C ATOM 1354 NZ LYS A 91 -6.877 0.899 16.373 1.00 0.00 N ATOM 0 H LYS A 91 -1.336 -3.032 17.255 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.366 -0.151 16.564 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.406 -0.957 15.827 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.453 -2.253 17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.087 -0.932 17.908 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.713 -0.205 18.717 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.926 1.632 17.837 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.573 1.432 16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.256 1.561 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.293 -0.169 15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.504 0.781 15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.078 0.155 17.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.042 1.831 16.803 1.00 0.00 H new ATOM 1368 N SER A 92 -1.053 0.614 18.880 1.00 0.00 N ATOM 1369 CA SER A 92 -0.826 1.096 20.238 1.00 0.00 C ATOM 1370 C SER A 92 -1.567 2.408 20.477 1.00 0.00 C ATOM 1371 O SER A 92 -1.068 3.231 21.273 1.00 0.00 O ATOM 1372 CB SER A 92 0.670 1.290 20.494 1.00 0.00 C ATOM 1373 OG SER A 92 1.035 0.808 21.776 1.00 0.00 O ATOM 1374 OXT SER A 92 -2.639 2.602 19.866 1.00 0.00 O ATOM 0 H SER A 92 -0.807 1.282 18.149 1.00 0.00 H new ATOM 0 HA SER A 92 -1.210 0.347 20.931 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.244 0.767 19.729 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.922 2.348 20.414 1.00 0.00 H new ATOM 0 HG SER A 92 1.996 0.942 21.915 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 -10.147 -3.275 -7.426 1.00 0.00 C HETATM 1382 C2 NAG A1052 -9.195 -2.723 -6.374 1.00 0.00 C HETATM 1383 C3 NAG A1052 -7.776 -2.674 -6.921 1.00 0.00 C HETATM 1384 C4 NAG A1052 -7.376 -4.032 -7.467 1.00 0.00 C HETATM 1385 C5 NAG A1052 -8.408 -4.534 -8.467 1.00 0.00 C HETATM 1386 C6 NAG A1052 -8.111 -5.941 -8.945 1.00 0.00 C HETATM 1387 C7 NAG A1052 -9.012 -0.724 -5.026 1.00 0.00 C HETATM 1388 C8 NAG A1052 -9.525 0.671 -4.705 1.00 0.00 C HETATM 1389 N2 NAG A1052 -9.621 -1.385 -6.006 1.00 0.00 N HETATM 1390 O3 NAG A1052 -6.881 -2.310 -5.882 1.00 0.00 O HETATM 1391 O4 NAG A1052 -6.116 -3.922 -8.114 1.00 0.00 O HETATM 1392 O5 NAG A1052 -9.722 -4.566 -7.880 1.00 0.00 O HETATM 1393 O6 NAG A1052 -8.091 -6.859 -7.861 1.00 0.00 O HETATM 1394 O7 NAG A1052 -8.077 -1.196 -4.379 1.00 0.00 O HETATM 0 HO6 NAG A1052 -8.713 -6.558 -7.166 1.00 0.00 H new HETATM 0 HO4 NAG A1052 -5.705 -4.809 -8.182 1.00 0.00 H new HETATM 0 HO3 NAG A1052 -7.379 -2.201 -5.045 1.00 0.00 H new HETATM 0 HN2 NAG A1052 -10.396 -0.947 -6.504 1.00 0.00 H new HETATM 0 H83 NAG A1052 -9.430 1.305 -5.586 1.00 0.00 H new HETATM 0 H82 NAG A1052 -10.573 0.614 -4.410 1.00 0.00 H new HETATM 0 H81 NAG A1052 -8.941 1.095 -3.888 1.00 0.00 H new HETATM 0 H62 NAG A1052 -8.864 -6.248 -9.671 1.00 0.00 H new HETATM 0 H61 NAG A1052 -7.149 -5.958 -9.457 1.00 0.00 H new HETATM 0 H5 NAG A1052 -8.365 -3.839 -9.306 1.00 0.00 H new HETATM 0 H4 NAG A1052 -7.316 -4.739 -6.639 1.00 0.00 H new HETATM 0 H3 NAG A1052 -7.734 -1.938 -7.724 1.00 0.00 H new HETATM 0 H2 NAG A1052 -9.210 -3.372 -5.499 1.00 0.00 H new HETATM 1404 C1 NAG A1078 11.536 -3.308 -10.347 1.00 0.00 C HETATM 1405 C2 NAG A1078 12.605 -3.549 -11.409 1.00 0.00 C HETATM 1406 C3 NAG A1078 12.285 -2.773 -12.674 1.00 0.00 C HETATM 1407 C4 NAG A1078 10.868 -3.060 -13.133 1.00 0.00 C HETATM 1408 C5 NAG A1078 9.882 -2.815 -12.004 1.00 0.00 C HETATM 1409 C6 NAG A1078 8.462 -3.195 -12.378 1.00 0.00 C HETATM 1410 C7 NAG A1078 14.905 -3.948 -10.804 1.00 0.00 C HETATM 1411 C8 NAG A1078 16.211 -3.386 -10.274 1.00 0.00 C HETATM 1412 N2 NAG A1078 13.886 -3.105 -10.899 1.00 0.00 N HETATM 1413 O3 NAG A1078 13.192 -3.154 -13.698 1.00 0.00 O HETATM 1414 O4 NAG A1078 10.547 -2.210 -14.222 1.00 0.00 O HETATM 1415 O5 NAG A1078 10.224 -3.593 -10.855 1.00 0.00 O HETATM 1416 O6 NAG A1078 7.556 -2.898 -11.326 1.00 0.00 O HETATM 1417 O7 NAG A1078 14.829 -5.136 -11.123 1.00 0.00 O HETATM 0 HO6 NAG A1078 8.012 -2.996 -10.464 1.00 0.00 H new HETATM 0 HO4 NAG A1078 9.793 -2.588 -14.721 1.00 0.00 H new HETATM 0 HO3 NAG A1078 12.988 -2.657 -14.517 1.00 0.00 H new HETATM 0 HN2 NAG A1078 14.005 -2.134 -10.610 1.00 0.00 H new HETATM 0 H83 NAG A1078 16.553 -2.583 -10.927 1.00 0.00 H new HETATM 0 H82 NAG A1078 16.057 -2.995 -9.268 1.00 0.00 H new HETATM 0 H81 NAG A1078 16.962 -4.175 -10.246 1.00 0.00 H new HETATM 0 H62 NAG A1078 8.165 -2.659 -13.279 1.00 0.00 H new HETATM 0 H61 NAG A1078 8.417 -4.259 -12.611 1.00 0.00 H new HETATM 0 H5 NAG A1078 9.935 -1.746 -11.796 1.00 0.00 H new HETATM 0 H4 NAG A1078 10.804 -4.104 -13.439 1.00 0.00 H new HETATM 0 H3 NAG A1078 12.378 -1.707 -12.464 1.00 0.00 H new HETATM 0 H2 NAG A1078 12.634 -4.613 -11.643 1.00 0.00 H new